SCHEMBL7653

SCHEMBL7653

CC[C](C)CC

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
Ammonia Solution, Strong SCHEMBL27920701 0.95
SCHEMBL3288573 0.80 ALDH1A1 (0.40)
SCHEMBL3281276 0.80
SCHEMBL322151 0.77
SCHEMBL9021256 0.74
SCHEMBL7790288 0.74
SCHEMBL11214581 0.74
SCHEMBL1193181 0.74
SCHEMBL8156917 0.74
SCHEMBL104255 0.74

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 30918 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218050-A1 Cysteine Engineered Antibodies and Conjugates GENENTECH, INC. (US) 2024-07-04 US claimed
CN-118047824-B Use of dialkylphosphonic acids in oligonucleotide synthesis 北京瑞博奥医药科技有限公司 2024-06-28 CN claimed
WO-2024131776-A1 BUFALIN DERIVATIVE AND PREPARATION METHOD THEREFOR, COMPOSITION, PREPARATION, AND APPLICATION 上海邈基生物科技有限公司 2024-06-27 WO claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
WO-2024126086-A1 IMPROVED PROCESS FOR PREPARING METAL ALKOXIDE COMPOUNDS EVONIK OPERATIONS GMBH (DE) 2024-06-20 WO claimed
WO-2024125775-A1 IMPROVED PROCESS FOR THE PREPARATION OF METAL ALCOHOLATE COMPOUNDS EVONIK OPERATIONS GMBH (DE) 2024-06-20 WO claimed
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN claimed
WO-2024120883-A1 IMPROVED PROCESS FOR PREPARING METAL ALKOXIDE COMPOUNDS EVONIK OPERATIONS GMBH (DE) 2024-06-13 WO claimed
CN-118047824-A Use of dialkylphosphonic acids in oligonucleotide synthesis 北京瑞博奥医药科技有限公司 2024-05-17 CN claimed
CN-114906818-B Alkyl anthraquinone working solution, preparation method thereof and hydrogen peroxide production method 中国石油化工股份有限公司 2024-05-17 CN claimed
US-4503072-A ANTILIPEMIC, FUNGICIDES MERCK & CO., INC. (US) 1985-03-05 US claimed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP claimed
US-4472426-A FUNGICIDES MERCK & CO., INC. (US) 1984-09-18 US claimed
EP-0113881-A1 Antihypercholesterolemic compounds MERCK & CO. INC. (US) 1984-07-25 EP claimed
US-4450171-A 6-/8-ACYLOXY/POLYHYDRONAPHTH-1-YL/ETHYLENE/ TETRAHYDRO-2H-PYRAN-2- ONE MERCK & CO., INC. (US) 1984-05-22 US claimed
US-4411753-A Synthesis of 6-t-alkyl-3-pyridazinones ELI LILLY AND COMPANY (US) 1983-10-25 US claimed
EP-0074222-A1 MB-530B derivatives, their preparation and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1983-03-16 EP claimed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP claimed
EP-0033538-A2 6(R)-(2-(8'-acyloxy-2'-methyl-6'-methyl (or hydrogen)-polyhydronaphthyl-1')-ethyl)-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-ones, the hydroxy acid form of said pyranones, the pharmaceutically acceptable salts of said hydroxy acids, and the lower alkyl, and phenyl, dimethylamino or acetylamino substituted lower alkyl esters of said hydroxy acid, processes for preparing the same, and a pharmaceutical antihypercholesterolemic composition containing the same MERCK & CO. INC. (US) 1981-08-12 EP claimed
EP-0027685-A2 Improved process for preparing imidazole and 1,2,4-triazole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-04-29 EP claimed