SCHEMBL900651

SCHEMBL900651

[CH2]c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
AHR P35869 6/20 0.39
TDP1 Q9NUW8 1/20 0.37
CYP2A6 P11509 2/20 0.35
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
NOTUM Q6P988 2/20 0.31
CYP1B1 Q16678 1/20 0.31
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL487703 0.87 LMNA (0.33) CYP2A6LMNA
SCHEMBL29368277 0.79 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL348089 0.79 CYP3A4 (0.62) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL1446442 0.79 CYP3A4 (0.38) CYP3A4MAPK1AHRTDP1CYP2A6
Methane SCHEMBL23466796 0.75 CYP3A4 (0.59) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL9374501 0.75 TSHR (0.35) CYP3A4TSHRTP53
SCHEMBL10736473 0.75 CYP3A4 (0.46) CYP3A4MAPK1AHRTDP1CYP2A6
SCHEMBL9540862 0.75 CYP3A4 (0.35) CYP3A4MAPK1AHRCYP2A6
SCHEMBL10733973 0.75 CYP3A4 (0.35) CYP3A4MAPK1AHRCYP2A6TSHR
SCHEMBL96975 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116413361-B Method for detecting 2-methacryloyl chloride related substances by gas chromatography 连云港杰瑞药业有限公司 2024-06-14 CN claimed
CN-114249644-B 2, 4-dichlorobenzoyl chloride production method and tail gas treatment process 江苏万隆化学有限公司 2024-01-30 CN claimed
CN-114230434-B Method for producing trichlorobenzyl by directional chlorination of alkylbenzene 河南特格纳特科技有限公司 2024-01-26 CN claimed
CN-117362148-A Novel method for synthesizing trichlorobenzyl by photochlorination 湖北可赛化工有限公司 2024-01-09 CN claimed
CN-117339509-A Micro-reaction flow channel for producing trichlorobenzyl 宜都市友源实业有限公司 2024-01-05 CN claimed
CN-220070749-U Continuous reaction device for synthesizing 3-chloropropionyl chloride 淮安洪阳化工有限公司 2023-11-24 CN claimed
CN-116413361-A Method for detecting 2-methacryloyl chloride related substances by gas chromatography 连云港杰瑞药业有限公司 2023-07-11 CN claimed
CN-113233954-B Method for improving selectivity of chlorination reaction process 新乡瑞诚科技股份有限公司 2023-07-07 CN claimed
CN-116271904-A Novel 3-chloropropionyl chloride synthesis method and continuous reaction device 淮安洪阳化工有限公司 2023-06-23 CN claimed
CN-116199571-A Method for controlling content of organic carboxylic acid in synthesis process of benzophenone photoinitiator 宜都市友源实业有限公司 2023-06-02 CN claimed
US-5359017-A Using an organoiron compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-10-25 US claimed
US-5192767-A Nonphytotoxic BASF AKTIENGESELLSCHAFT (DE) 1993-03-09 US claimed
EP-0511405-A1 CATIONICALLY POLYMERIZABLE ORGANIC MATERIAL COMPOSITION AND STABILIZATION OF SAID COMPOSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-11-04 EP claimed
US-4512989-A IMIDOESTERS OR IMIDOTHIOESTERS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-23 US claimed
EP-0073566-A1 Methods and compositions for combating soil pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4215220-A 1-(2-Oxysubstituted-3-anilinopropyl)-imidazoles CILAG-CHEMIE A.G. (CH) 1980-07-29 US claimed
US-4172197-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US claimed
EP-0001682-A2 Heterocyclic compounds and their use as pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-02 EP claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed