SCHEMBL97114

SCHEMBL97114

O=Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP2A6 P11509 2/20 0.52
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
EPHX2 P34913 2/20 0.48
FAAH O00519 1/20 0.48
DRD1 P21728 1/20 0.47
ALDH1A3 P47895 1/20 0.47
STS P08842 1/20 0.45
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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 SCHEMBL3539828 0.98 ALDH1A1 (0.50) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL505301 0.94 DRD1 (0.56) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL3464472 0.94 CYP2D6 (0.48) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL1744566 0.94 PARP10 (0.50) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL3464474 0.94 CYP2D6 (0.48) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL9607433 0.90 ALDH1A1 (0.49) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL24512622 0.89 PIM1 (0.43) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL13224312 0.89 ACACB (0.45) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL13581064 0.84 RAB9A (0.55) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL934183 0.83 ALDH1A1 (0.54) ALDH1A1CYP2A6DRD1ALDH1A3STS

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 2026 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4558500-A1 IMIDAZOPYRIDINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi (FR) 2025-05-28 EP claimed
CN-119119116-A Rhein phosphoryl derivative and synthetic method and application thereof 甘肃中医药大学 2024-12-13 CN claimed
CN-118026796-A Synthetic method for decarbonylation deuteration reaction of rhodium-catalyzed aldehyde compound 中国科学院大连化学物理研究所 2024-05-14 CN claimed
CN-117004110-B Photovoltaic cable with high ultraviolet aging resistance and preparation method thereof 双登电缆股份有限公司 2024-04-02 CN claimed
WO-2024017977-A1 IMIDAZOPYRIDINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-01-25 WO claimed
CN-117004110-A Photovoltaic cable with high ultraviolet aging resistance and preparation method thereof 双登电缆股份有限公司 2023-11-07 CN claimed
CN-113735769-B Quinolinone alkaloid derivative containing acylhydrazone structure at 3-position and preparation method and application thereof 太原理工大学 2023-02-28 CN claimed
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN claimed
CN-1553892-A Novel compounds and compositions as cathepsin inhibitors ����˹��ҩ�﹫˾ 2004-12-08 CN claimed
US-20040132807-A1 Aurones as telomerase inhibitors PHARMACIA ITALIA SPA (IT) 2004-07-08 US claimed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
WO-2003106431-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME AVENTIS PHARMA S.A. (FR) 2003-12-24 WO claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
CN-86102389-A The preparation and the application thereof of the aralkyl compound that the azoles base replaces 1987-01-21 CN claimed
US-3960945-A 4-[-(Alkoxy or polyhaloalkoxy)-benzamido]cyclohexanones STERLING DRUG INC. (US) 1976-06-01 US claimed