SCHEMBL321756

SCHEMBL321756

FC(F)(F)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
TSHR P16473 3/20 0.50
RAPGEF4 Q8WZA2 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
NOTUM Q6P988 1/20 0.43
SLC13A3 Q8WWT9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.40
TP53 P04637 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GPR35 Q9HC97 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
Nitrogen SCHEMBL9592328 0.94 AHR (0.48) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL3786224 0.94 RAPGEF4 (0.47) AHRTSHRRAPGEF4TDP1CYP3A4
Nitrogen SCHEMBL28987389 0.92 AHR (0.47) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL6865601 0.87 AHR (0.48) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL7934061 0.84 RAPGEF4 (0.42) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL6800526 0.82 RAPGEF4 (0.41) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL902818 0.82 RAPGEF4 (0.58) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL979567 0.82 RAPGEF4 (0.41) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL1012745 0.82 CYP3A4 (0.55) AHRTSHRRAPGEF4TDP1CYP3A4
SCHEMBL15943174 0.82 RAPGEF4 (0.41) AHRTSHRRAPGEF4TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110790-B Preparation method of 3, 5-dihalide benzotrifluoride and 3 '-chloro-5' -trifluoromethyl phenyl trifluoro-ethanone 台州臻挚生物科技有限公司 2023-06-23 CN claimed
CN-116008331-A Method for measuring content of liquid electrolyte component of battery 清华大学 2023-04-25 CN claimed
CN-102442960-B Cyanuric chloride derivative as well as preparation method and application thereof WUHAN INST TECHNOLOGY 2014-12-24 CN claimed
EP-0912492-B1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE SA (FR) 2002-09-25 EP claimed
US-6191309-B1 USING A COMPOUND OF FORMULA X2 IN A SOLVENT SELECTED FROM AN ANHYDROUS HALOGENATED HYDROCARBON, A MIXTURE OF WATER AND A HALOGENATED HYDROCARBON AND OPTIONALLY THE COMPOUND ITSELF, TO GIVE HALOGENATED 2-AMINO OR 2-ACETAMIDOTRIFLUOROMETHYLBENZENE RHODIA CHIMIE (FR) 2001-02-20 US claimed
EP-0912492-A1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE (FR) 1999-05-06 EP claimed
WO-1998002409-A1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE (FR) 1998-01-22 WO claimed
CN-117964491-A Preparation method of 4-trifluoromethyl aniline 上海立科化学科技有限公司 2024-05-03 CN disclosed
CN-113636919-B Method for synthesizing 3-chloro-5-trifluoromethyl trifluoroacetophenone 上海恩氟佳科技有限公司 2023-10-24 CN disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
CN-112110790-B Preparation method of 3, 5-dihalide benzotrifluoride and 3 '-chloro-5' -trifluoromethyl phenyl trifluoro-ethanone 台州臻挚生物科技有限公司 2023-06-23 CN disclosed
CN-116008331-A Method for measuring content of liquid electrolyte component of battery 清华大学 2023-04-25 CN disclosed
EP-0912492-A1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE (FR) 1999-05-06 EP disclosed
WO-1998002409-A1 METHOD FOR PREPARING HALOGENATED 2-AMINO OR 2-ACETAMIDO TRIFLUOROMETHYLBENZENE DERIVATIVES RHODIA CHIMIE (FR) 1998-01-22 WO disclosed
EP-0097357-B1 PROCESS FOR PREPARING TRIFLUOROMETHYLBENZENE DERIVATIVES Daikin Kogyo Co., Ltd. (JP) 1986-01-08 EP disclosed
US-4493800-A REACTING A TRIFLUOROMETHYLHALOGENOBENZENE WITH COPPER CYANIDE DAIKIN KOGYO CO., LTD. (JP) 1985-01-15 US disclosed
EP-0097357-A1 Process for preparing trifluoromethylbenzene derivatives Daikin Kogyo Co., Ltd. (JP) 1984-01-04 EP disclosed
EP-0029123-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED ANILINES, AND SUBSTITUTED ANILINES BASF Aktiengesellschaft (DE) 1983-06-08 EP disclosed
EP-0029123-A1 Process for the preparation of substituted anilines, and substituted anilines BASF Aktiengesellschaft (DE) 1981-05-27 EP disclosed