SCHEMBL9315416

SCHEMBL9315416

CC(C)(O)CCOCCC(C)(C)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6259993 0.97 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL6257984 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2A
SCHEMBL11134290 0.90 ALDH1A1 (0.53) ALDH1A1
SCHEMBL3510739 0.89 TSHR (0.53) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL28887397 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2A
SCHEMBL24040335 0.87 ALDH1A1 (0.43) ALDH1A1
SCHEMBL881157 0.85
SCHEMBL11136852 0.85
Hydrochloric Acid SCHEMBL3507061 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL31267570 0.83 ALDH1A1 (0.45) ALDH1A1

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

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110498757-B Synthesis method of metal-free 3-acyl indole compound 中国科学院兰州化学物理研究所 2022-03-15 CN disclosed
CN-108473623-B Process for producing vinyl ether polymer having hydroxyl group in side chain and temperature-responsive polymer mixture 丸善石油化学株式会社 2020-12-08 CN disclosed
US-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
EP-0587180-A2 Aryl urea (Thiourea) and cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 EP disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4935421-A ADRENERGIC BLOCKING AGENTS; GLAUCOMA TREATMENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-19 US disclosed
US-4927837-A TREATMENT OF ALZHEIMER'S DISEASE, SENILE DEMENTIA, OR MEMORY DISORDERS IN THE AGED ROUSSEL UCLAF (FR) 1990-05-22 US disclosed
US-4859698-A CARDIOVASCULAR DISORDERS, HYPERLIPIDAEMIAS, HYPERLIPOPROTEINAEMIAS/ SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1989-08-22 US disclosed
US-4810717-A ADRENERGIC BLOCKING AGENTS, GLAUCOMA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
US-4798892-A ADRENERGIC BLOCKING AGENTS, GLAUCOMA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-01-17 US disclosed
WO-1983001770-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed
EP-0009655-B1 6-AMINO SUBSTITUTED N-PYRROLYL-3-PYRIDAZINE AMINES, THEIR PREPARATION, AND PHARMACEUTICALLY ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM GRUPPO LEPETIT S.P.A. (IT) 1983-05-11 EP disclosed
EP-0053015-A1 1-Phenylthio-2-aminopropane derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP disclosed
US-4247551-A N-Pyrrolyl-pyridazineamines and their use as antihypertensive agents GRUPPO LEPETIT S.P.A. (IT) 1981-01-27 US disclosed
US-4227006-A ANTITHROMBOTICS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1980-10-07 US disclosed
EP-0009655-A1 6-Amino substituted N-pyrrolyl-3-pyridazine amines, their preparation, and pharmaceutically antihypertensive compositions containing them GRUPPO LEPETIT S.P.A. (IT) 1980-04-16 EP disclosed
US-4182706-A Flame-retardant agents for phenolic resins and process for their production CHEMISCHE FABRIK KALK GMBH (DE) 1980-01-08 US disclosed
US-4013643-A N,N-DISUBSTITUTED 2,3-DIPHENYLALLYLAMINES G. D. SEARLE & CO. (US) 1977-03-22 US disclosed
US-3978045-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-08-31 US disclosed
US-3969468-A 2-Amino-1,2,3,4-tetrahydronaphthalene derivatives KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-07-13 US disclosed