SCHEMBL1943136

SCHEMBL1943136

OC1(P(c2ccccc2)c2ccccc2)C=Cc2ccccc2C1c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.00

⚠ 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
SCHEMBL3291410 0.92
SCHEMBL1905021 0.84
SCHEMBL900595 0.84
Hydrochloric Acid SCHEMBL20481635 0.83
Hydrochloric Acid SCHEMBL125218 0.83
SCHEMBL22406221 0.81
SCHEMBL8729098 0.81
Acetic Acid SCHEMBL6600577 0.81
Perchlorate SCHEMBL5454038 0.81
SCHEMBL4047529 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
EP-2914597-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-09-09 EP disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
WO-2014068988-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-05-08 WO disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
WO-2008114123-A1 SPIRO BENZIMIDAZOLE DERIVATIVES AS ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-09-25 WO disclosed
EP-1963311-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS Pfizer, Inc. (US) 2008-09-03 EP disclosed
WO-2008035195-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-03-27 WO disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
WO-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed
WO-2007072146-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed
US-20070142448-A1 Chromane Substituted Benzimidazole Derivatives PFIZER INC. 2007-06-21 US disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed