SCHEMBL7645648

SCHEMBL7645648

N#C[C@@H](O)c1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ERBB2 P04626 1/20 0.37
DUT P33316 1/20 0.35
AKR1C3 P42330 1/20 0.35
SRD5A2 P31213 1/20 0.35
TTR P02766 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 1/20 0.34
PARP10 Q53GL7 1/20 0.34
RHEB Q15382 1/20 0.33

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
SCHEMBL31573173 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL3243488 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL29750217 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL9753500 1.00 TSHR (0.47) TSHRERBB2DUTAKR1C3SRD5A2
SCHEMBL10889414 0.88 SCN9A (0.38) TSHRHTR2ASLC6A4LMNAL3MBTL1
SCHEMBL10890094 0.87 KMT2A (0.39) TSHRSLC6A4
SCHEMBL9814890 0.87 SCN9A (0.39) TSHRHTR2ASLC6A4L3MBTL1
SCHEMBL9814747 0.87 SCN9A (0.39) TSHRHTR2ASLC6A4L3MBTL1
SCHEMBL11316434 0.87 TSHR (0.44) TSHRSLC6A4LMNANPSR1PARP10
SCHEMBL8076731 0.85 DUT (0.35) ERBB2DUTSRD5A2TTRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957083-B1 Process for stabilising cyanhydrines DSM FINE CHEM AUSTRIA GMBH (AT) 2002-04-10 EP claimed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US claimed
EP-0573361-B1 Process for the preparation of esters of 2,2-dimethyl-3-((Z)-2-(alkoxycarbonyl)ethenyl)cyclopropanecarboxylic acid and intermediates ROUSSEL UCLAF (FR) 1996-12-11 EP claimed
EP-0476708-B1 (Trifluoromethyl)vinyl pyrethroid derivatives, their use as pesticides, process for their preparation, and intermediates of that process ROUSSEL UCLAF (FR) 1995-11-08 EP claimed
US-5312964-A Process and intermediates ROUSSEL UCLAF (FR) 1994-05-17 US claimed
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP claimed
US-4723027-A TREATING AN ALDEHYDE WITH HYDROGEN CYANIDE IN THE PRESENCE OF CYCLO(D-PHENYLALANYL-D-HISTIDINE)CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-02 US claimed
US-4594196-A Reacting corresponding aldehyde with hydrogen cyanide in presence of aprotic solvent and catalyst SHELL OIL COMPANY (US) 1986-06-10 US claimed
US-4582646-A REACTING A NON-SYMMETRICAL KETENE WITH A RACEMIC OR OPTICALLY ACTIVE ALPHA-HYDROXYNITRILE SHELL OIL COMPANY (US) 1986-04-15 US claimed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US claimed
EP-0093664-B1 ESTER OF CYCLOPROPANECARBOXYLIC ACID AND (S)-CYANO-(4-FLUORO-3-PHENOXYPHENYL)-METHYL ALCOHOL, ITS PREPARATION, ITS USE IN COMBATING PARASITES AND COMPOSITIONS CONTAINING IT ROUSSEL-UCLAF (FR) 1985-09-11 EP claimed
EP-0109909-B1 DERIVATIVES OF 2,2-DIMETHYL-3-(2-FLUORO-3-OXO-3-(1,1-DIMETHYLETHOXY)-1-PROPENYL)CYCLOPROPANECARBOXYLIC ACID ROUSSEL-UCLAF (FR) 1985-08-21 EP claimed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 EP claimed
EP-0022970-A2 Stereoisomers of alpha-cyano-3-phenoxy-4-fluor-benzyl esters of 2,2-dimethyl-3-(2,2-dichloro-vinyl)-cyclopropane carboxylic acid, process for their preparation and their application as insecticides and acaricides BAYER AG (DE) 1981-01-28 EP claimed
US-6417377-B1 Process for preparing enantiomer-enriched amino- and hydroxyfuranones DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-07-09 US disclosed
US-6225095-B1 REACTING ALDEHYDE OR KETONE DISSOLVED IN AN ORGANIC, WATER-IMMISCIBLE OR SLIGHTLY MISCIBLE DILUENT, AN AQUEOUS HYDROXYNITRILE LYASE SOLUTION, AND A CYANIDE GROUP DONOR TO FORM AN EMULSION WHICH IS MAINTAINED BY STIRRING DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2001-05-01 US disclosed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US disclosed
EP-0046950-A1 Optically active isomers of trans-3(2-(4-chlorophenyl)-vinyl)-2,2-dimethyl-cyclopropion-1-ic acid-(alpha-cyano-4-fluoro-3-phenoxy-benzyl)-esters, process for their preparation and their use as ectoparasiticides BAYER AG (DE) 1982-03-10 EP disclosed
US-4287208-A ESPECIALLY USEFUL AGAINST INSECTS AND ACARIDS BAYER AKTIENGESELLSCHAFT (DE) 1981-09-01 US disclosed
EP-0022970-A2 Stereoisomers of alpha-cyano-3-phenoxy-4-fluor-benzyl esters of 2,2-dimethyl-3-(2,2-dichloro-vinyl)-cyclopropane carboxylic acid, process for their preparation and their application as insecticides and acaricides BAYER AG (DE) 1981-01-28 EP disclosed