SCHEMBL40186

SCHEMBL40186

O=C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.77
CES2 O00748 2/20 0.74
LMNA P02545 2/20 0.62
NR4A2 P43354 2/20 0.60
MRGPRX4 Q96LA9 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
MAOB P27338 1/20 0.58
KCNK3 O14649 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
P2RX1 P51575 1/20 0.57
POLB P06746 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KAT6A Q92794 1/20 0.54

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
SCHEMBL29433907 1.00 SRD5A2 (0.77) SRD5A2CES2LMNANR4A2MRGPRX4
SCHEMBL28127726 0.98 SRD5A2 (0.74) SRD5A2CES2LMNANR4A2MRGPRX4
Fluoride SCHEMBL11120479 0.98 SRD5A2 (0.74) SRD5A2CES2LMNANR4A2MRGPRX4
SCHEMBL28119414 0.98 SRD5A2 (0.74) SRD5A2CES2LMNANR4A2MRGPRX4
Hydrochloric Acid SCHEMBL10387616 0.98 SRD5A2 (0.74) SRD5A2CES2LMNANR4A2MRGPRX4
SCHEMBL29208534 0.98 SRD5A2 (0.74) SRD5A2CES2LMNANR4A2MRGPRX4
Hydrochloric Acid SCHEMBL30596522 0.98 SRD5A2 (0.74) SRD5A2CES2LMNANR4A2MRGPRX4
Ethylene SCHEMBL715875 0.96 SRD5A2 (0.72) SRD5A2CES2LMNANR4A2MRGPRX4
SCHEMBL4618676 0.94 SRD5A2 (0.70) SRD5A2CES2LMNANR4A2MRGPRX4
Dimethylamine SCHEMBL8955556 0.93 SRD5A2 (0.68) SRD5A2CES2LMNANR4A2MRGPRX4

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 2306 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-119874466-A N, N-dimethylamide compound and synthesis method thereof 海南大学 2025-04-25 CN claimed
WO-2025057535-A1 SEPARATION MEMBRANE 日東電工株式会社 2025-03-20 WO claimed
CN-119504479-A Capsaicin ester derivative, preparation method and application thereof 西北农林科技大学 2025-02-25 CN claimed
CN-119431432-A Andrographolide diester derivative, preparation method and application 西北农林科技大学 2025-02-14 CN claimed
CN-119241583-A Organic-inorganic hybrid { Zr6Sn4Crystalline tin-zirconium-oxygen cluster patterning material and preparation method and application thereof 中国科学院福建物质结构研究所 2025-01-03 CN claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed
EP-0539274-B1 Method for the synthesis of aldehydes and of their derivatives RHONE POULENC CHIMIE (FR) 1996-04-10 EP claimed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
US-5200343-A Pretreating the bacteria by inducing cell in presence of 1,3-substituted phenyl without being metabolized and pyruvic acid, ester, acid salt as electron donor BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1993-04-06 US claimed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US claimed
EP-0249999-A2 Triazolyl ethyl ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1987-12-23 EP claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-3954473-A ALIPHATIC PHOSPHINE, ELECTRON ACCEPTOR POLAROID CORPORATION (US) 1976-05-04 US claimed