SCHEMBL1164528

SCHEMBL1164528

CC(C)(CO)CC#N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9535784 0.81
SCHEMBL28196450 0.78 MEN1 (0.30)
SCHEMBL28261135 0.77
SCHEMBL13263352 0.75 ALDH1A1 (0.33)
SCHEMBL5590844 0.74
Water SCHEMBL28810779 0.73
Cyanamide SCHEMBL27947794 0.73 MEN1 (0.30)
SCHEMBL8277454 0.73
SCHEMBL8485451 0.72
SCHEMBL23954507 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118899541-A Preparation method and application of lithium ion battery electrolyte additive 苏州德加能源科技有限公司 2024-11-05 CN claimed
US-9777019-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2017-10-03 US claimed
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2016-06-09 US claimed
US-9296759-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US claimed
US-9012446-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-04-21 US claimed
US-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. 2014-10-02 US claimed
EP-2758406-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2014-07-30 EP claimed
US-20140045828-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2014-02-13 US claimed
EP-2547686-B1 AMINO-DIHYDROOXAZINE AND AMINO-DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA-SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC (US) 2014-01-22 EP claimed
US-8497264-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-07-30 US claimed
WO-2013044092-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-28 WO claimed
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP claimed
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2011-10-13 US claimed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO claimed
CN-118899541-A Preparation method and application of lithium ion battery electrolyte additive 苏州德加能源科技有限公司 2024-11-05 CN disclosed
EP-3183255-B1 SPIROPYRROLIDINES AS MDM2 INHIBITORS HUDSON BIOPHARMA INC (US) 2023-07-05 EP disclosed
CN-108349994-B Triazole ACC inhibitors and uses thereof 吉利德阿波罗公司 2021-06-22 CN disclosed
US-4739091-A FIREPROOFING AGENTS FOR POLYURETHANES-MADE FROM PHOSPHORUS TRIHALIDE, NEOCARBYL ALCOHOL, OXIRANE AND HALOGENATION AGENT THE DOW CHEMICAL COMPANY (US) 1988-04-19 US disclosed
US-4596879-A Process for producing intermediate furanones from diol derivative and thionyl chloride HOFFMANN-LA ROCHE INC. (US) 1986-06-24 US disclosed
EP-0172371-A1 Process for the preparation of dehydroxypantolactone F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-02-26 EP disclosed