SCHEMBL177920

SCHEMBL177920

SCCCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.66
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HRH1 P35367 2/20 0.61
CHRNA7 P36544 2/20 0.59
TBXAS1 P24557 7/20 0.56
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL178089 0.94 TDP1 (0.67) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL11067175 0.92 HRH1 (0.68) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL15903707 0.92 HRH1 (0.68) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL30553018 0.87
SCHEMBL177997 0.87
SCHEMBL29485677 0.87 CYP2A6 (0.76) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL2843094 0.87 CYP2A6 (0.76) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL724788 0.87 TDP1 (0.80) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL29485675 0.87 TDP1 (0.80) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL2845851 0.85 HRH1 (0.81) CYP2A6TDP1L3MBTL1HRH1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946581-B2 Bisphenol compound composition having excellent thermal stability MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-20 US claimed
EP-2390243-B1 PROCESS FOR PREPARING BISPHENOL MITSUBISHI CHEM CORP (JP) 2020-07-08 EP disclosed
EP-2948771-B1 CHEMICAL SENSING DEVICE HEWLETT PACKARD DEVELOPMENT CO (US) 2019-04-10 EP disclosed
US-20190077894-A1 PROCESS FOR PREPARING CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2019-03-14 US disclosed
EP-2952256-B1 METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
US-20150362433-A1 CHEMICAL SENSING DEVICE HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2015-12-17 US disclosed
US-20150353660-A1 PROCESS FOR PREPARING CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2015-12-10 US disclosed
EP-2952256-A1 METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS Deutschland GmbH (DE) 2015-12-09 EP disclosed
EP-2948771-A1 CHEMICAL SENSING DEVICE Hewlett-Packard Development Company L.P. (US) 2015-12-02 EP disclosed
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
US-4482663-A Rubber compositions comprising a siliceous filler in combination with an organosulfur substituted pyridine promotor PHILLIPS PETROLEUM COMPANY (US) 1984-11-13 US disclosed
US-4478956-A FOR CATALYTIC CONDENSATION OF PHENOL WITH KETONE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-10-23 US disclosed
EP-0045959-B1 PROCESS FOR PREPARING BISPHENOLS MITSUBISHI KASEI CORPORATION (JP) 1984-04-04 EP disclosed
US-4423252-A CONDENSATION OF A PHENOL WITH A KETONE IN THE PRESENCE OF A SULFONIC ACID TYDE CATION EXCHANGE RESIN MODIFIED WITH A PYRIDINE-ALKANE THIOL MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1983-12-27 US disclosed
EP-0045959-A1 Process for preparing bisphenols MITSUBISHI KASEI CORPORATION (JP) 1982-02-17 EP disclosed