SCHEMBL203216

SCHEMBL203216

Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
GLA P06280 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
CYP3A4 P08684 1/20 0.52
IDO1 P14902 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
KDR P35968 1/20 0.47
NPFFR2 Q9Y5X5 3/20 0.45
NPFFR1 Q9GZQ6 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
NOTUM Q6P988 6/20 0.44
KIF11 P52732 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30574189 1.00 TSHR (0.61) TSHRGLAPOLBGAACYP3A4
Hydrochloric Acid SCHEMBL9827180 0.98 TSHR (0.59) TSHRGLAPOLBGAACYP3A4
Hydrochloric Acid SCHEMBL4383138 0.98 TSHR (0.59) TSHRGLAPOLBGAACYP3A4
Fluoride SCHEMBL10883445 0.98 TSHR (0.59) TSHRGLAPOLBGAACYP3A4
Methane SCHEMBL27686801 0.96 TSHR (0.57) TSHRGLAPOLBGAACYP3A4
SCHEMBL31255713 0.89 TSHR (0.50) TSHRGLAPOLBGAACYP3A4
SCHEMBL1762437 0.83 TSHR (0.48) TSHRGLAPOLBGAACYP3A4
SCHEMBL439937 0.82 TSHR (0.56) TSHRGLAPOLBGAACYP3A4
SCHEMBL29944898 0.82 TSHR (0.56) TSHRGLAPOLBGAACYP3A4
SCHEMBL11447664 0.82 RAPGEF4 (0.51) TSHRGLAPOLBGAAKDR

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

Appears in 2182 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121006469-B Corrosion-resistant aluminum alloy pipe 江苏允能新材料科技有限公司 2026-05-12 CN claimed
CN-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN claimed
CN-119667011-A Method for measuring compound 四川科伦药物研究院有限公司 2025-03-21 CN claimed
CN-119492845-A Analysis method of 4-chloro-3-trifluoromethyl isocyanate related substances 南京正大天晴制药有限公司 2025-02-21 CN claimed
CN-119462414-A Ceramidase specificity inhibitor and preparation method and application thereof 南方医科大学南方医院 2025-02-18 CN claimed
CN-119241427-A Method for comprehensively and efficiently synthesizing anticancer drug regorafenib 董帅圻 2025-01-03 CN claimed
CN-115141100-B Preparation method of 2-fluoro-3-trifluoromethyl aniline 苏州永健生物医药有限公司 2024-07-19 CN claimed
CN-117430574-B Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-03-22 CN claimed
CN-117430574-A Benzofuran derivative and preparation method and application thereof 潍坊医学院 2024-01-23 CN claimed
CN-113773263-B 4-amine substituted phthalazinone aurora kinase B inhibitor and preparation and application thereof 兰州大学 2023-09-19 CN claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
WO-1999041239-A1 B CELL INHIBITORS NOVARTIS AG (CH) 1999-08-19 WO claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US claimed
EP-0439265-B1 Novel 1,3-dicarbonyl compounds and their use PFIZER (US) 1994-03-23 EP claimed
US-5166161-A Antiallergens or antiinflammatory agents PFIZER INC. (US) 1992-11-24 US claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US claimed
EP-0129214-B1 METHOD FOR THE PREPARATION OF BENZENAMINES OCCIDENTAL CHEMICAL CORPORATION (US) 1986-10-29 EP claimed
EP-0129214-A1 Method for the preparation of benzenamines OCCIDENTAL CHEMICAL CORPORATION (US) 1984-12-27 EP claimed
US-4481370-A REACTING HYDROGEN FLUORIDE WITH A PHENYL CARBAMIC FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1984-11-06 US claimed