SCHEMBL3985111

SCHEMBL3985111

C=CCC1CCCCN1S

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
NOS3 P29474 2/20 0.35
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3990357 0.93
SCHEMBL515454 0.77 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL19922063 0.77 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL25764949 0.77 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1934292 0.77 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL12105152 0.77 CYP1A2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL3434244 0.77 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4559420 0.75 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL9327568 0.75 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL9279577 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381463-B1 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC (US) 2009-03-11 EP disclosed
US-6740684-B2 FORMING OXYGEN AND METAL RESISTANT CATALYST FOR PRODUCTION OF BISPHENOL A; PARTIALLY NEUTRALIZING WITH ALKYLCARBAMOYL ALKYLTHIOESTER DOW GLOBAL TECHNOLOGIES INC. 2004-05-25 US disclosed
EP-1381463-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2004-01-21 EP disclosed
US-20030212151-A1 Process for producing a strong-acid cation exchange resin DOW CHEMICAL COMPANY, THE 2003-11-13 US disclosed
WO-2002024335-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2002-03-28 WO disclosed
EP-0676237-B1 Modified ion exchange resins and use thereof MITSUBISHI CHEM CORP (JP) 1999-03-17 EP disclosed
US-5589517-A N,N-DI-SUBSTITITUTED MERCAPTOALKYLAMINE SULFONIC ACID ION EXCHANGE RESIN AS CATALYST FOR CONDENSATION REACTION OF A PHENOL AND A KETONE TO PRODUCE A BISPHENOL MITSUBISHI CHEMICAL CORPORATION (JP) 1996-12-31 US disclosed
EP-0676237-A1 Modified ion exchange resins and use thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-10-11 EP disclosed