SCHEMBL272103

SCHEMBL272103

CC(C)(C)NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 8/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA1 P00915 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL7778173 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL7775102 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
Water SCHEMBL5430832 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Bromide SCHEMBL28089455 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Hydrochloric Acid SCHEMBL1241011 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17821887 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Iodide SCHEMBL28089655 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL7778181 0.97 ALDH1A1 (0.40) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17046069 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17821983 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10EPHX1PDK1PDK2

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 1057 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2961782-B2 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INT INC (US) 2025-11-26 EP claimed
EP-3394017-B1 METHOD FOR PREPARING 2,3,3,3-TETRAFLUORO-1-PROPENE AND RECYCLING 2-CHLORO-3,3,3-TRIFLUOROPROPENE FREE OF IMPURITIES ARKEMA FRANCE (FR) 2023-10-25 EP claimed
US-11746180-B2 Catalysts for polyurethane foam polyol premixes containing halogenated olefin blowing agents HONEYWELL INTERNATIONAL INC. (US) 2023-09-05 US claimed
EP-2961782-B1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INT INC (US) 2023-04-05 EP claimed
CN-112262166-B Polyurethane foam-forming composition 速的奥公司 2023-04-04 CN claimed
US-20220298288-A9 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. 2022-09-22 US claimed
EP-3774968-B1 POLYURETHANE FOAM FORMING COMPOSITIONS SOUDAL (BE) 2022-08-17 EP claimed
US-20220195106-A1 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2022-06-23 US claimed
US-20220106430-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS HONEYWELL INTERNATIONAL INC. (US) 2022-04-07 US claimed
US-5026843-A Process for the preparation of ceftriaxone S.B.D. SYNTHETIC AND BIOLOGICAL DVLPMNTS. S.R.L. (IT) 1991-06-25 US claimed
EP-0399094-A2 Improved process for the preparation of ceftriaxone S.B.D. SYNTHETIC AND BIOLOGICAL DEVELOPMENTS S.r.l. (IT) 1990-11-28 EP claimed
US-4658005-A Storage-stabile polyurethane resin powder enamels or varnishes HULS AKTIENGESELLSCHAFT (DE) 1987-04-14 US claimed
US-4529798-A Reacting the correcponding lithium, sodium, potassium or magnesium halide compound with a aminonitrile compound JOHN WYETH & BROTHER LIMITED (GB) 1985-07-16 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
EP-0054384-B1 PROCESS FOR PREPARING PYRIDINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1984-06-27 EP claimed
US-4410730-A Process for the production of o-(N-monosubstituted amino)benzyl alcohols SHIONOGI & CO., LTD. (JP) 1983-10-18 US claimed
EP-0054384-A1 Process for preparing pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1982-06-23 EP claimed
EP-0010270-B1 ALPHA-AZOLYL-ALPHA-PHENYLACETIC ACID DERIVATIVES, THEIR PRODUCTION, FUNGICIDES CONTAINING THEM, METHOD FOR COMBATING FUNGI AND FOR THE PRODUCTION OF FUNGICIDES BASF Aktiengesellschaft (DE) 1981-11-04 EP claimed
US-4296029-A Process for preparing hexahydroazepine, piperidine and pyrrolidine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-10-20 US claimed