SCHEMBL919476

SCHEMBL919476

Fc1cc[c]cc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SLC6A2 P23975 2/20 0.36
FAAH O00519 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ERBB2 P04626 1/20 0.35
CTNNB1 P35222 1/20 0.34
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL8441722 0.85 ALDH1A1 (0.38) SLC6A4HTR2APARP10SLC6A2HTR1A
SCHEMBL921134 0.85 LTA4H (0.41) LTA4HTSHRSLC6A4HTR2AHRH1
SCHEMBL9686231 0.82 HTR1A (0.42) SLC6A4PARP10SLC6A2HTR1ASLC6A3
SCHEMBL9684517 0.82 SLC6A2 (0.43) SLC6A4SLC6A2HTR1ASLC6A3KMT2A
SCHEMBL1451604 0.82 LTA4H (0.46) LTA4HTSHRSLC6A4HRH1SLC6A2
SCHEMBL9685391 0.81 GAA (0.41) LTA4HSLC6A4SLC6A2SLC6A3TDP1
SCHEMBL9685431 0.81 TEAD4 (0.38) SLC6A4HTR2APARP10SLC6A2SLC6A3
SCHEMBL9560675 0.81 MAPT (0.38) SLC6A4PARP10SLC6A2SLC6A3
SCHEMBL9560871 0.81 HTR2A (0.41) SLC6A4HTR2ASLC6A2SLC6A3KMT2A
SCHEMBL9686248 0.80 SLC6A4 (0.44) SLC6A4HTR2ASLC6A2HTR1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108625-A Spirocyclic derivatives 克罗诺斯治疗有限公司 2017-08-29 CN claimed
JP-6008256-B2 ネピュレ株式会社 2016-10-19 JP claimed
CN-1138735-C Process and intermediate compounds for preparation of pesticidal fluoroolefin compounds 2004-02-18 CN claimed
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US claimed
EP-0885867-B1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AG (DE) 2001-10-24 EP claimed
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US claimed
EP-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP claimed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US claimed
US-5973190-A Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds AMERICAN CYANAMID COMPANY (US) 1999-10-26 US claimed
CN-1229647-A 1,4-diaryl-3-fluoro-2-butene compounds for protecting animals and humans against attach and infestation by arthropod parasites AMERICAN CYANAMID CO (US) 1999-09-29 CN claimed
EP-0058505-A1 Preparation of esters containing an alpha-cyano group in the alcohol portion of the esters FMC Corporation (US) 1982-08-25 EP claimed
US-4344960-A Combating insects and acarids with 3-(2-chloro-3,3,4,4,4-pentafluoro-1-butenyl)-2,2-dimethyl-cyclopropanecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US claimed
US-4323685-A Preparation of esters FMC CORPORATION (US) 1982-04-06 US claimed
US-4322535-A REACTION OF AN ACYL HALIDE, ALDEHYDE, AND CYANIDE SALT USING A CATALYTIC AMPHOTERIC SURFACTANT OF AN AMINO ALKYLSULFONATE FMC CORPORATION (US) 1982-03-30 US claimed
US-4322534-A Preparation of esters FMC CORPORATION (US) 1982-03-30 US claimed
US-4318922-A INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed
US-4317834-A Combating arthropods with fluorine-substituted spiro-carboxylic acid benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 1982-03-02 US claimed
EP-0043492-A2 1-Aryl-cyclopropane-1-carboxylic-acid esters, their preparation and their use as insecticides BAYER AG (DE) 1982-01-13 EP claimed
EP-0040742-A1 3-(Chloro-3,3,4,4,4-pentafluoro-1-butenyl)-2,2-dimethylcyclopropanecarboxylic acid esters, process for their preparation and their use in insecticides BAYER AG (DE) 1981-12-02 EP claimed
US-4279923-A Combating pests with 3-(2,3-dichloro-3,3-difluoro-prop-1-en-1-yl)-2,2-dimethyl-cyclo-propanecarboxylic acid fluoro-benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 1981-07-21 US claimed