SCHEMBL7922539

SCHEMBL7922539

Fc1ccc(COCc2ccc(F)c(Oc3ccccc3)c2)cc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.44
TSHR P16473 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
LTA4H P09960 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11141496 0.97 TSHR (0.48) TTRTSHRFFAR4LPAR1LPAR5
SCHEMBL10740183 0.91 TTR (0.47) TTRFFAR4LTA4HHTR2ASLC6A4
SCHEMBL11159132 0.88 APP (0.47) TTRFFAR4
SCHEMBL10432985 0.88 TTR (0.41) TTRFFAR4LTA4HHTR2ASLC6A4
SCHEMBL9558218 0.87 RIPK1 (0.41) TTRFFAR4HTR2ASLC6A4LPAR1
SCHEMBL10361910 0.87 TTR (0.40) TTRFFAR4LPAR1LPAR5POLB
SCHEMBL9558602 0.85 FFAR4 (0.44) FFAR4LPAR1LPAR5
Hydrochloric Acid SCHEMBL8695686 0.85 IDO1 (0.47) HRH1CYP3A4
SCHEMBL10361908 0.84 TTR (0.42) TTRFFAR4HTR2ASLC6A4LPAR1
SCHEMBL10654097 0.84 TTR (0.39) TTRFFAR4HTR2ASLC6A4LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US claimed
EP-0024612-B1 NEW 4-FLUORO-3-PHENOXY-BENZYL-ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1983-10-05 EP claimed
US-4381412-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-04-26 US claimed
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
CN-1020449-C INSECTICIDAL TRIFFLUORMETHYL ALKANE DERIVATIVES SCHERING AG (DE) 1993-05-05 CN disclosed
EP-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP disclosed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 EP disclosed
CN-87100438-A insecticidal trifluoromethyl alkane derivatives 1987-08-12 CN disclosed
EP-0216228-A1 Oxetane and thietane derivatives having pesticidal properties SCHERING AKTIENGESELLSCHAFT (DE) 1987-04-01 EP disclosed
US-4381412-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-04-26 US disclosed
US-4381412-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-04-26 US disclosed
US-4326087-A REACTING 3-BROMO-4-FLUORO-BENZYL ALCOHOL WITH A CHLORINATING OR BROMINATING AGENT OR 3-BROMO-4-FLUORO-BENZOYL FLUORIDE WITH A HYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
EP-0024612-A2 New 4-fluoro-3-phenoxy-benzyl-ethers, process for their preparation and their use BAYER AG (DE) 1981-03-11 EP disclosed