SCHEMBL6849840

SCHEMBL6849840

C[N+]1(C)CCCCC1.[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
SCHEMBL16566642 0.96 KDM4E (0.33)
Cyclopropane SCHEMBL8849477 0.96 KDM4E (0.33)
SCHEMBL25624606 0.96 KDM4E (0.33)
SCHEMBL8504637 0.96 KDM4E (0.33)
SCHEMBL12757222 0.96 KDM4E (0.33)
SCHEMBL2857671 0.96
SCHEMBL19307668 0.96 KDM4E (0.33)
Hydrochloric Acid SCHEMBL23797807 0.92 KDM4E (0.32)
Bromide SCHEMBL1221200 0.92
SCHEMBL10387924 0.92

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102538-B1 PLANT GROWTH REGULATOR COMPOSITIONS BASF AG (DE) 2004-12-29 EP disclosed
US-6288009-B1 NON-HYDROSCOPIC, NONCORROSIVE MEPIQUAT BORATE DERIVATIVE, COTTON CROPS BASF CORPORATION 2001-09-11 US disclosed
US-6248694-B1 MEPIQUAT MONOBORATE SALT AND THICKENING AGENT AS PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
EP-1102538-A1 PLANT GROWTH REGULATOR COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2001-05-30 EP disclosed
US-6224734-B1 COMPLEXING, METALLIZATION, HYDRATING, AND/OR BORATING MEPIQUATE CHLORIDE; BIPOLAR ELECTRODIALYSIS; CHELATION BASF AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
WO-1999052368-A1 PLANT GROWTH REGULATOR COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed