SCHEMBL104545

SCHEMBL104545

CC(C)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.42
EPHX1 P07099 7/20 0.39
KDM4E B2RXH2 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL19966112 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL19705361 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL22369902 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL7776775 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL18844888 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL278463 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL23319701 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
Hydrochloric Acid SCHEMBL2863718 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
Fluoride SCHEMBL7235974 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL1440206 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM

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 2243 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041730-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2026-05-13 EP claimed
WO-2025245364-A1 METHODS AND SYSTEMS FOR SELECTIVE EXTRACTION OF LITHIUM FROM BRINES USING THERMORESPONSIVE SOLVENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-11-27 WO claimed
CN-111193069-B Electrolyte for electrochemical device, method for preparing the same, and electrochemical device 三星电子株式会社 2024-11-01 CN claimed
US-20240190834-A1 METHODS FOR EXTRACTION, PROCESSING, AND PURIFICATION OF MINOR CANNABINOID COMPOUNDS FROM COMPLEX MIXTURES NECTAR HEALTH SCIENCES INC. (CA) 2024-06-13 US claimed
WO-2024099402-A1 INTERMEDIATES AND PROCESS OF COMPOUNDS FOR THE DEGRADATION OF EGFR KINASE BEIGENE (BEIJING) CO., LTD. (CN) 2024-05-16 WO claimed
EP-3728253-B1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-03-27 EP claimed
EP-3906224-B1 METHODS FOR EXTRACTION, PROCESSING, AND PURIFICATION OF A SELECTED FAMILY OF TARGET COMPOUNDS FROM CANNABIS NECTAR HEALTH SCIENCES INC (CA) 2024-02-07 EP claimed
US-11802118-B2 Methods for extraction, processing, and purification of a selected family of target compounds from cannabis NECTAR HEALTH SCIENCES INC. (CA) 2023-10-31 US claimed
CN-112920393-B Synthesis method and application of unsaturated polyester modified asparagus resin 深圳飞扬骏研新材料股份有限公司 2023-08-01 CN claimed
US-11643398-B2 Metallic salt containing anion having heterocyclic aromatic structure, method of preparing the metallic salt, and electrolyte and electrochemical device each including the metallic salt SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-05-09 US claimed
US-4981983-A Derivatives of biliary acids, process for the production thereof and corresponding pharmaceutical compositions GIPHARMEX S.P.A. (IT) 1991-01-01 US claimed
EP-0135782-B1 NEW DERIVATIVES OF BILIARY ACIDS, PROCESS FOR THE PRODUCTION THEREOF AND CORRESPONDING PHARMACEUTICAL COMPOSITIONS GIULIANI S.p.A. (IT) 1990-02-28 EP claimed
US-4495229-A SECONDARY AMINE-BLOCKED POLYISOCYANATE-DEBLOCKING AT LOW TEMPERATURE CHEMISCHE WERKE HULS A.G. (DE) 1985-01-22 US claimed
EP-0021772-B1 METHOD OF PREPARING 2-OXO- AND 2-UNSUBSTITUTED-HEXAHYDROAZEPINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-02 EP claimed
US-4423263-A REACTION WITH N-HALOGENAMINE IN PRESENCE OF PROTON DONOR AND METAL CATALYSTS ANIC, S.P.A. (IT) 1983-12-27 US claimed
US-4410730-A Process for the production of o-(N-monosubstituted amino)benzyl alcohols SHIONOGI & CO., LTD. (JP) 1983-10-18 US claimed
US-4390517-A WATER-SOLUBLE PRIMARY, SECONDARY, OR TERTIARY AMINES AS STABILIZERS; DIAGNOSIS/MEDICAL/; STORAGE STABILITY NEW ENGLAND NUCLEAR CORPORATION (US) 1983-06-28 US claimed
US-4296029-A Process for preparing hexahydroazepine, piperidine and pyrrolidine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-10-20 US claimed
US-3996186-A TRIGLYCIDYL ISOCYANURATE-CYCLOHEXYLAMINE ADDUCTS, DIAMINE-DIGLYCIDYL ADDUCTS CIBA-GEIGY CORPORATION (US) 1976-12-07 US claimed
US-3996505-A Capacitor with liquid polybutene dielectric MCGRAW-EDISON COMPANY (US) 1976-12-07 US claimed