SCHEMBL39591

SCHEMBL39591

Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
MAPK1 P28482 1/20 1.00
PTGS1 P23219 4/20 0.53
CYP3A4 P08684 1/20 0.52
CASP1 P29466 1/20 0.52
RECQL P46063 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
MAOB P27338 2/20 0.49
IDO1 P14902 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
CES2 O00748 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29410732 1.00 TSHR (1.00) TSHRMAPK1PTGS1CYP3A4CASP1
Hydrochloric Acid SCHEMBL4372377 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Hydrochloric Acid SCHEMBL30953679 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
SCHEMBL28129133 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Water SCHEMBL27781603 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Hydrochloric Acid SCHEMBL2790297 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Water SCHEMBL27580150 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Water SCHEMBL7109306 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Iodide SCHEMBL31305312 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1
Fluoride SCHEMBL10897661 0.98 TSHR (0.95) TSHRMAPK1PTGS1CYP3A4CASP1

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 7965 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-224270966-U Device for preparing m-aminotrifluorotoluene JIANGSU FENGHUA CHEMICAL INDUSTRIAL Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-120504610-B Method for continuously preparing m-trifluoromethyl aniline diazonium salt 山东师范大学 2026-05-19 CN claimed
CN-122060402-A Radiation-cured wear-resistant paint and preparation method thereof 江苏佳饰家新材料集团股份有限公司 2026-05-19 CN claimed
CN-122036599-A Dibenzylbutane lignan LCA analogue, and preparation method and application thereof 浙江中医药大学 2026-05-15 CN claimed
CN-122036689-A Nilotinib preparation method of nylon 苏州特瑞药业股份有限公司 2026-05-15 CN claimed
CN-222918519-U Desolventizing kettle for quickly desolventizing m-aminotrifluorotoluene 江苏丰华化学工业有限公司 2025-05-30 CN claimed
CN-120040314-A Method for continuously preparing m-trifluoromethyl acetophenone oxime 山东师范大学实验厂有限公司 2025-05-27 CN claimed
CN-119431183-A Process for continuously synthesizing m-trifluoromethyl acetophenone oxime by adopting microchannel reactor 中国计量大学 2025-02-14 CN claimed
WO-2025030690-A1 SOLUBLE POLYIMIDE CASTING SOLUTION, THERMOPLASTIC POLYIMIDE FILM SINTERING LINE AND PREPARATION METHOD THEREFOR AND USE THEREOF 合肥汉之和新材料科技有限公司 2025-02-13 WO claimed
CN-119241427-A Method for comprehensively and efficiently synthesizing anticancer drug regorafenib 董帅圻 2025-01-03 CN claimed
US-4224171-A Novel lubricant additives containing phosphorus and nitrogen and lubricant compositions containing them OROGIL (FR) 1980-09-23 US claimed
EP-0001949-A1 Lubricant compositions that contain phosphorus and nitrogen OROGIL (FR) 1979-05-16 EP claimed
US-RE29852-E POLYCHLOROALKANE, METAL HALIDE, FLUOROALKYL ARYL Aidlin, Joseph W. (US) 1978-11-28 US claimed
US-RE29739-E APPLYING TO SURFACE REACTION PRODUCT OF A METAL HALIDE AND A TRIFLUORO-ALKARYL AMINE Aidlin, Joseph W. (US) 1978-08-22 US claimed
US-4031027-A REACTION PRODUCT OF HALOGENATED COMPOUNDS AND ALKARYLAMINE Aidlin, Joseph W. (US) 1977-06-21 US claimed
US-4023986-A BORON TRIFLUORIDE, TRIFLUORO-ALKARYL AMINE Aidlin, Joseph W. (US) 1977-05-17 US claimed
US-4004064-A REACTION PRODUCT OF ALUMINUM, BORON OR TITANIUM HALIDE WITH A FLUOROHYDROCARBON AMINE Aidlin, Joseph W. (US) 1977-01-18 US claimed
US-3996115-A Process for forming an anodic oxide coating on metals Aidlin, Joseph W. (US) 1976-12-07 US claimed
US-3980685-A Magnesium-aluminum containing complexes of organic anions of central nervous system affecting compounds KYOWA CHEMICAL INDUSTRY CO., LTD. (JA) 1976-09-14 US claimed
US-3961934-A N-ACETYL OR CHLOROACETYL AMINOMETHYLENEPHOSPHONIC ACIDS AND DERIVATIVES MONSANTO COMPANY (US) 1976-06-08 US claimed