SCHEMBL586765

SCHEMBL586765

CC[N-]CC.[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4266980 0.94
SCHEMBL5246570 0.89
SCHEMBL1119349 0.89
SCHEMBL2839051 0.89
Lithium Ion SCHEMBL43386 0.89
Zinc Ion SCHEMBL12477137 0.89
SCHEMBL12476942 0.89
SCHEMBL11745139 0.89 LMNA (0.33)
SCHEMBL3180780 0.89
SCHEMBL1419727 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215575-A1 METHOD OF PREPARING 1-(2,2-DIMETHYLPROPYL)-CYCLOPROPENE AS SPRAYABLE ETHYLENE ANTAGONIST IN PLANTS AND USES THEREOF KYUNG SANG NAM DO (KR) 2024-07-04 US claimed
EP-4389726-A1 METHOD OF PREPARING 1-(2,2-DIMETHYLPROPYL)-CYCLOPROPENE AS SPRAYABLE ETHYLENE ANTAGONIST IN PLANTS AND USES THEREOF Kyung Sang Nam Do (KR) 2024-06-26 EP claimed
EP-1265859-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP claimed
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-08-15 US claimed
WO-2001072702-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 WO claimed
US-6028237-A Synthesis of cyclopropylacetylene DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-22 US claimed
EP-0805790-B1 IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE MERCK & CO INC (US) 1999-11-24 EP claimed
WO-1998027034-A1 AN IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE DU PONT PHARMACEUTICALS COMPANY (US) 1998-06-25 WO claimed
EP-0805790-A1 IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE Merck & Co., Inc. (US) 1997-11-12 EP claimed
US-5663467-A BASIC REACTION OF 5-HALO-1-PENTYNE IN APROTIC SOLVENT, HEATING AND CYCLIZATION THEN QUENCHING MERCK & CO., INC. (US) 1997-09-02 US claimed
WO-1996022955-A1 IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE MERCK & CO., INC. (US) 1996-08-01 WO claimed
EP-4735424-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
US-20250042906-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
WO-2025006946-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-02 WO disclosed
US-12129326-B2 Method of making metal-ligand complexes DOW GLOBAL TECHNOLOGIES LLC (US) 2024-10-29 US disclosed
US-4018795-A LUBRICATING GREASE, SUPERIMPOSED CYCLOHEXANE RINGS SKELLY OIL COMPANY (US) 1977-04-19 US disclosed
US-4007225-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-02-08 US disclosed
US-4000198-A INTERMEDIATE FOR CANTHAXANTHIN HOFFMANN-LA ROCHE INC. (US) 1976-12-28 US disclosed
US-3953426-A EXTREME PRESSURE ADDITIVES SKELLY OIL COMPANY (US) 1976-04-27 US disclosed
US-3953500-A ANTIPYRETICS, ANALGESICS, ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-27 US disclosed