SCHEMBL428615

SCHEMBL428615

O=C([O-])c1cc(F)ccc1O.[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 3/20 0.48
▸ CA2 known ✓ P00918 3/20 0.48
▸ DHFR known ✓ P00374 1/20 0.45
▸ GABRP known ✓ O00591 1/20 0.45
▸ GABRD known ✓ O14764 1/20 0.45
▸ GABRA1 known ✓ P14867 1/20 0.45
▸ GABRB1 known ✓ P18505 1/20 0.45
▸ GABRG2 known ✓ P18507 1/20 0.45
▸ GABRB3 known ✓ P28472 1/20 0.45
▸ GABRA5 known ✓ P31644 1/20 0.45
▸ GABRA3 known ✓ P34903 1/20 0.45
▸ GABRA2 known ✓ P47869 1/20 0.45
▸ GABRB2 known ✓ P47870 1/20 0.45
▸ GABRA4 known ✓ P48169 1/20 0.45
▸ GABRE known ✓ P78334 1/20 0.45
▸ GABRA6 known ✓ Q16445 1/20 0.45
▸ GABRG1 known ✓ Q8N1C3 1/20 0.45
▸ GABRG3 known ✓ Q99928 1/20 0.45
▸ GABRQ known ✓ Q9UN88 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
5-Chlorosalicylic Acid SCHEMBL15065430 0.89 P2RX1 (0.55) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL3690105 0.85 ACMSD (0.49) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL8679191 0.83 CA1 (0.52) ALDH1A1KDM4EHPGDCA1CA2
Diflunisal SCHEMBL11411706 0.82 ACMSD (0.73) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL3695265 0.81 ACMSD (0.49) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL28742315 0.81 CES2 (0.65) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL130520 0.78 ACMSD (0.66) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL29759451 0.78 ACMSD (0.66) ALDH1A1KDM4EHPGDCA1CA2
Gentisic Acid SCHEMBL453133 0.78 CA1 (0.61) ALDH1A1KDM4EHPGDCA1CA2
Gentisic Acid SCHEMBL29395432 0.78 CA1 (0.61) ALDH1A1KDM4EHPGDCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4352449-A2 PROJECTILE PAYLOAD FOR TRAINING AMMUNITION WITH MULTI-SPECTRAL OUTPUT Cyalume Technologies, Inc (US) 2024-04-17 — — EP claimed
US-11940253-B2 Projectile payload for training ammunition with multi-spectral output CYALUME TECHNOLOGIES, INC. (US) 2024-03-26 — — US claimed
WO-2023140886-A2 PROJECTILE PAYLOAD FOR TRAINING AMMUNITION WITH MULTI-SPECTRAL OUTPUT CYALUME TECHNOLOGIES, INC. (US) 2023-07-27 — — WO claimed
US-20230194226-A1 Projectile payload for training ammunition with multi-spectral output PNC BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2023-06-22 — — US claimed
EP-2459674-B1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM CYALUME TECHNOLOGIES INC (US) 2016-07-13 — — EP claimed
US-9109156-B2 Chemiluminescent system IMPERIAL TOY LLC (US) 2015-08-18 — — US claimed
US-9074131-B2 Combined chemiluminescent and fluorescent powder marking system CYALUME TECHNOLOGIES, INC. (US) 2015-07-07 — — US claimed
US-20140166949-A1 Chemiluminescent system GREAT ROCK CAPITAL PARTNERS MANAGEMENT, LLC, AS AGENT 2014-06-19 — — US claimed
US-8584590-B2 Combined thermal and chemiluminescent reaction system CYALUME TECHNOLOGIES, INC. (US) 2013-11-19 — — US claimed
US-20130134356-A1 Combined Chemiluminescent and Fluorescent Powder Marking System CYALUME TECHNOLOGIES, INC. (US) 2013-05-30 — — US claimed
JP-2011529124-A — — 2011-12-01 — — JP claimed
EP-2318475-A1 PRESSURE ACTIVATABLE CHEMILUMINESCENT SYSTEM USEFUL FOR COVERT INTRUSION DETECTION Cyalume Technologies, Inc (US) 2011-05-11 — — EP claimed
US-20110085318-A1 CHEMILUMINESCENT SIGNALING DEVICES CYALUME TECHNOLOGIES, INC. 2011-04-14 — — US claimed
WO-2011022298-A1 CHEMILUMINESCENT SIGNALING DEVICES CRANOR EARL (US) 2011-02-24 — — WO claimed
WO-2011014484-A1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM CRANOR EARL (US) 2011-02-03 — — WO claimed
US-20110017091-A1 COMBINED THERMAL AND CHEMILUMINESCENT REACTION SYSTEM CYALUME TECHNOLOGIES, INC. (US) 2011-01-27 — — US claimed
WO-2010011761-A1 PRESSURE ACTIVATABLE CHEMILUMINESCENT SYSTEM USEFUL FOR COVERT INTRUSION DETECTION CYALUME TECHNOLOGIES, INC. (US) 2010-01-28 — — WO claimed
US-20100022023-A1 Pressure activatable chemiluminescent system useful for covert intrusion detection PNC BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2010-01-28 — — US claimed
US-5705103-A Composition for producing chemiluminescent light of controllable duration JAME FINE CHEMICALS, INC. (US) 1998-01-06 — — US claimed
US-5597517-A OXALATE ESTER, SOLVENT, ACTIVATOR, FLUORESCER JAME FINE CHEMICALS, INC. (US) 1997-01-28 — — US claimed
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