SCHEMBL3978795

SCHEMBL3978795

Fc1ccc(C(Cl)(Cl)Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSD11B1 P28845 2/20 0.36
NISCH Q9Y2I1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CYP19A1 P11511 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 2/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 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
SCHEMBL31297347 1.00 TSHR (0.60) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL4474477 0.86 CYP3A4 (0.43) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL29435960 0.81 HSD11B1 (0.44) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL18167293 0.81 TSHR (0.43) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL364144 0.81 HSD11B1 (0.44) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL803026 0.79 PTGS1 (0.39) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL4460449 0.79 CYP19A1 (0.39) TSHRCYP3A4MAPK1TDP1HSD11B1
SCHEMBL11550172 0.78 ALDH1A1 (0.42) TSHRCYP3A4MAPK1TDP1ALDH1A1
SCHEMBL31433155 0.78 ALDH1A1 (0.42) TSHRCYP3A4MAPK1TDP1ALDH1A1
SCHEMBL17186783 0.76 MEN1 (0.39) TSHRCYP3A4MAPK1TDP1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306610-A Synthesis method of 2-chloro-4-fluoro-5-nitrobenzoic acid 永农生物科学有限公司 2025-01-14 CN claimed
CN-119285433-A 2-Chloro-4-fluorotrichlorotoluene and preparation method thereof 鹤壁市宝瑞德化工有限公司 2025-01-10 CN claimed
CN-114790134-A Method for synthesizing 2-chloro-4-fluorobenzoic acid through Meerwein arylation reaction 江苏中旗科技股份有限公司 2022-07-26 CN claimed
CN-113416114-A Method for preparing 2-chloro-4-fluoro-trichlorotoluene by catalyzing photochlorination of 2-chloro-4-fluorotoluene through supported phosphorus trichloride 浙江解氏新材料股份有限公司 2021-09-21 CN claimed
WO-2018141642-A1 PROCESS FOR THE PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOTRICHLORIDE BASF Agro B.V. (NL) 2018-08-09 WO claimed
EP-1853548-B1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI SPA (IT) 2009-05-13 EP claimed
EP-1853548-A1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI S.p.A. (IT) 2007-11-14 EP claimed
WO-2006090210-A1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI S.P.A. (IT) 2006-08-31 WO claimed
US-4163753-A FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND Diaz Chemical Corporation (US) 1979-08-07 US claimed
CN-119306610-A Synthesis method of 2-chloro-4-fluoro-5-nitrobenzoic acid 永农生物科学有限公司 2025-01-14 CN disclosed
CN-119306610-A Synthesis method of 2-chloro-4-fluoro-5-nitrobenzoic acid 永农生物科学有限公司 2025-01-14 CN disclosed
CN-119285433-A 2-Chloro-4-fluorotrichlorotoluene and preparation method thereof 鹤壁市宝瑞德化工有限公司 2025-01-10 CN disclosed
CN-119285433-A 2-Chloro-4-fluorotrichlorotoluene and preparation method thereof 鹤壁市宝瑞德化工有限公司 2025-01-10 CN disclosed
CN-119143607-A Saflufenacil intermediate continuous production method of body 苏利(宁夏)新材料科技有限公司 2024-12-17 CN disclosed
WO-2006090210-A1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI S.P.A. (IT) 2006-08-31 WO disclosed
WO-2006090210-A1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI S.P.A. (IT) 2006-08-31 WO disclosed
US-4711905-A 2,4-dihalogenobenzoyl-(thio)urea insecticides BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 US disclosed
EP-0093976-B1 2,4-DIHALOGENBENZOYL UREAS AND THIOUREAS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-09-10 EP disclosed
EP-0093976-A1 2,4-Dihalogenbenzoyl ureas and thioureas, processes for their preparation and their use as pesticides BAYER AG (DE) 1983-11-16 EP disclosed
US-4163753-A FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND Diaz Chemical Corporation (US) 1979-08-07 US disclosed