SCHEMBL657298

SCHEMBL657298

Fc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
IDO1 P14902 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
HSD11B1 P28845 1/20 0.41
MPL P40238 2/20 0.41
KDM4E B2RXH2 1/20 0.40
AR P10275 3/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL31303886 1.00 SLC6A4 (0.46) SLC6A4HTR2AKCNH2IDO1CYP1A2
Carbamic Acid SCHEMBL10885623 0.86 RAB9A (0.47) SLC6A4HTR2AKCNH2IDO1CYP1A2
SCHEMBL30898355 0.83 KIF11 (0.48) CYP1A2CYP2D6CYP2C19RAB9AHSD11B1
SCHEMBL3919252 0.83 KIF11 (0.48) CYP1A2CYP2D6CYP2C19RAB9AHSD11B1
SCHEMBL3789153 0.82 CYP3A4 (0.52) CYP1A2CYP2D6CYP2C19RAB9AKDM4E
SCHEMBL987352 0.80 IDO1 (0.50) IDO1CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL18167274 0.80 CYP3A4 (0.56) SLC6A4HTR2AKCNH2IDO1CYP1A2
SCHEMBL30867127 0.80 TSHR (0.54) CYP1A2CYP2D6CYP2C19RAB9AHSD11B1
SCHEMBL29649700 0.80 IDO1 (0.50) IDO1CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL6763833 0.78 MAPK1 (0.39) SLC6A4HTR2AKCNH2CYP1A2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490578-B Preparation method of triclosan marked by carbon isotopes 江苏理工学院 2023-12-22 CN claimed
CN-115625145-A Flexible graphite bipolar plate cleaning process 广东环华氢能科技有限公司 2023-01-20 CN claimed
CN-115490578-A Preparation method of carbon isotope labeled triclosan 江苏理工学院 2022-12-20 CN claimed
US-4603222-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-07-29 US claimed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 EP claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 US claimed
US-4424396-A ARYL HALIDE, A-AMINOACID OCCIDENTAL CHEMICAL CORPORATION (US) 1984-01-03 US claimed
CN-122079945-A Coumarin derivative containing substituted phenyl ether structure, preparation method and application thereof 2026-05-26 CN disclosed
CN-115490578-B Preparation method of triclosan marked by carbon isotopes 江苏理工学院 2023-12-22 CN disclosed
CN-115490578-B Preparation method of triclosan marked by carbon isotopes 江苏理工学院 2023-12-22 CN disclosed
CN-115625145-A Flexible graphite bipolar plate cleaning process 广东环华氢能科技有限公司 2023-01-20 CN disclosed
CN-115490578-A Preparation method of carbon isotope labeled triclosan 江苏理工学院 2022-12-20 CN disclosed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 EP disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP disclosed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US disclosed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 US disclosed
US-4424396-A ARYL HALIDE, A-AMINOACID OCCIDENTAL CHEMICAL CORPORATION (US) 1984-01-03 US disclosed
US-4289909-A Process for preparing 1-dichloroacyl-4-substituted phenoxy benzene and intermediates therefor CHEVRON RESEARCH (US) 1981-09-15 US disclosed