SCHEMBL249800

SCHEMBL249800

COC(C(=O)Cl)(c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
KCNN4 O15554 1/20 0.43
ENPP2 Q13822 2/20 0.38
CYP1A2 P05177 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGER1 P34995 2/20 0.35

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
SCHEMBL249799 1.00 CES1 (0.43) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL527656 1.00 CES1 (0.43) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL15895048 0.88 CES1 (0.42) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL236357 0.87 CES1 (0.47) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL246914 0.87 CES1 (0.47) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL236358 0.87 CES1 (0.47) CES1KCNN4ENPP2CYP1A2NR1H2
Hydrochloric Acid SCHEMBL8829227 0.85 CES1 (0.46) CES1KCNN4ENPP2CYP1A2NR1H2
Hydrochloric Acid SCHEMBL4926039 0.85 CES1 (0.46) CES1KCNN4ENPP2CYP1A2NR1H2
Hydrochloric Acid SCHEMBL5595770 0.85 CES1 (0.46) CES1KCNN4ENPP2CYP1A2NR1H2
SCHEMBL7436744 0.84 CES1 (0.44) CES1KCNN4ENPP2CYP1A2NR1H2

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 2006 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114624351-B Analysis method of (R) - (-) -1-amino-2-propanol residues in pomazolam besylate bulk drug 宜昌人福药业有限责任公司 2024-04-09 CN claimed
CN-114624351-A Analysis method for (R) - (-) -1-amino-2-propanol residue in benzene sulfonic acid remazolam bulk drug 宜昌人福药业有限责任公司 2022-06-14 CN claimed
EP-2605767-A1 SHIP1 MODULATORS AND RELATED METHODS The University Of British Columbia (CA) 2013-06-26 EP claimed
WO-2012024682-A1 SHIP1 MODULATORS AND RELATED METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-02-23 WO claimed
EP-0098942-B1 OPTICALLY ACTIVE IMIDAZOLYLPROPANOL COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-12 EP claimed
EP-0098942-A1 Optically active imidazolylpropanol compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-25 EP claimed
JP-11292867-A None JP disclosed
EP-4747261-A1 AMINOPYRIMIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS Accutar Biotechnology Inc. (US) 2026-05-27 EP disclosed
EP-4746969-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-27 EP disclosed
EP-4746890-A1 AQUEOUS FORMULATIONS OF A CARDIAC P2X RECEPTOR AGONIST AND THEIR USE IN TREATING MEDICAL DISORDERS Cornovus Pharmaceuticals, Inc. (US) 2026-05-27 EP disclosed
EP-4747253-A1 SPIROCYCLIC WRN HELICASE INHIBITORS Merck Sharp & Dohme LLC (US) 2026-05-27 EP disclosed
US-12637461-B2 Compounds for the activation of AMPK PFIZER INC. (US) 2026-05-26 US disclosed
US-12637480-B2 Heterocyclic compounds as sting modulators BEONE MEDICINES I GMBH (CH) 2026-05-26 US disclosed
US-4337346-A CONDENSATION OF A GLYOXAL WITH AN N-SUBSTITUTED AMINOMETHYLPYRROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
EP-0050351-A1 Optically active or racemic alpha-hydroxyaldehydes and benzyl derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-28 EP disclosed
EP-0011417-A1 Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-28 EP disclosed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed
US-4054604-A MICROBIOCIDES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1977-10-18 US disclosed
US-4044043-A HYPERTENSIVE AGENTS, MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1977-08-23 US disclosed
US-3981868-A MICROBIOCIDES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed