SCHEMBL178089

SCHEMBL178089

SCCCCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HRH1 P35367 2/20 0.65
CYP2A6 P11509 1/20 0.63
TBXAS1 P24557 7/20 0.59
CHRNA7 P36544 2/20 0.57
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL11067175 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL15903707 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL177920 0.94 CYP2A6 (0.66) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL724788 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL2845851 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485667 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL8658187 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485634 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL3048356 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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 31 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
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2009032552-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-12 WO disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed
US-6946581-B2 Bisphenol compound composition having excellent thermal stability MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-20 US disclosed
US-20030234381-A1 Bisphenol compound composition having excellent thermal stability MITSUBISHI CHEMICAL CORPORATION (JP) 2003-12-25 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