SCHEMBL61631

SCHEMBL61631

O=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
FBP1 P09467 1/20 0.50
HDAC3 O15379 1/20 0.48
ADAM17 P78536 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KIF11 P52732 1/20 0.47
AHR P35869 1/20 0.47
PTGS1 P23219 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP2A6 P11509 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46

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
Hydrochloric Acid SCHEMBL27615734 0.97 CYP1A2 (0.52) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL2268468 0.93 KIF11 (0.56) CYP1A2FBP1KIF11CA1CA2
SCHEMBL16626288 0.93 CYP1A2 (0.48) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL28461961 0.91 CYP1A2 (0.47) CYP1A2FBP1HDAC3ADAM17HDAC1
Ammonia Solution, Strong SCHEMBL6559237 0.91 KIF11 (0.55) CYP1A2FBP1KIF11CA1CA2
SCHEMBL27932513 0.89 SRD5A2 (0.51) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL184377 0.87 PARP10 (0.50) CYP1A2FBP1PTGS1CYP2A6CA1
SCHEMBL1813636 0.87 CYP1A2 (0.44) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL18821768 0.87 PTGS2 (0.45) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL7015741 0.85 SRD5A2 (0.63) CYP1A2HDAC3ADAM17HDAC1HDAC2

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 6522 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747311-A1 PERFLUOROPOLYETHER COPOLYMERS FOR BIOMEDICAL APPLICATIONS Axoft, Inc. (US) 2026-05-27 EP claimed
US-12568817-B2 Surface functionalization of sinx thin film by wet etching for improved adhesion of metal-dielectric for HSIO INTEL CORPORATION (US) 2026-03-03 US claimed
US-12332256-B2 Erythrocyte simulating particle, preparation method therefor, and quality control or calibrator containing same SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2025-06-17 US claimed
CN-120117974-A Synthetic method for preparing di-deuterated primary alcohol by catalytic aldehyde hydrogenation and hydrogen-deuterium exchange reaction 中国科学院大连化学物理研究所 2025-06-10 CN claimed
CN-120117949-A Method for directly preparing tertiary amine compound from aromatic aldehyde, ketone and secondary amine 湖南大学 2025-06-10 CN claimed
CN-116354821-B Method for synthesizing alpha-aryl-beta-monofluoroalkyl ketone derivative by using olefin difunctional group 广西师范大学 2025-05-23 CN claimed
CN-119979123-A High-strength abrasive based on diamond and preparation method thereof 安徽瀚马光电科技有限公司 2025-05-13 CN claimed
CN-119930712-A New synthesis method of 2' -O-alkyl guanosine 常州合全药业有限公司 2025-05-06 CN claimed
CN-119875045-A Pyrenyl covalent organic framework material and preparation method and application thereof 中国石油天然气股份有限公司 2025-04-25 CN claimed
CN-119875052-A Ion polymer based on flexible main chain, anion exchange membrane and preparation method thereof 武汉轻工大学 2025-04-25 CN claimed
US-5124487-A Catalytic reduction of nitriles to aldehydes OCCIDENTAL CHEMICAL CORPORATION (US) 1992-06-23 US claimed
US-4940822-A Substituted benzenemethanol compounds, intermediates thereof, and preparation thereof WARNER-LAMBERT COMPANY (US) 1990-07-10 US claimed
EP-0251041-B1 PROCESS FOR PREPARING 2,3,5,6-TETRAFLUOROBENZOIC ACID AND THE COMPOUNDS 2,3,5,6-TETRACHLORO-4-TRIFLUOROMETHYLBENZOYL CHLORIDE AND 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYLBENZOYL FLUORIDE BAYER AG (DE) 1989-11-08 EP claimed
US-4808746-A Preparation of trifluoromethylbenzonitrile from trifluoromethylbenzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 1989-02-28 US claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed
US-4521629-A REACTINGH AN AROMATIC ALDEHYDE WITH ACETONE AMERICAN CYANAMID COMPANY (US) 1985-06-04 US claimed
EP-0077853-B1 NOVEL TRIFLUOROMETHYL BENZAL CHLORIDES AND PROCESS FOR THE PREPARATION THEREOF OCCIDENTAL CHEMICAL CORPORATION (US) 1985-03-13 EP claimed
EP-0038223-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES OCCIDENTAL CHEMICAL CORPORATION (US) 1984-08-08 EP claimed
EP-0077853-A1 Novel trifluoromethyl benzal chlorides and process for the preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1983-05-04 EP claimed
US-4367348-A Novel trifluoromethyl benzal chlorides and process for the preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1983-01-04 US claimed