SCHEMBL459903

SCHEMBL459903

CC(C)(C#N)CO

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
SCHEMBL2227066 0.81
SCHEMBL13429438 0.77
SCHEMBL13672510 0.75
SCHEMBL21751470 0.73
SCHEMBL3629035 0.72
SCHEMBL3626628 0.72
SCHEMBL8485453 0.71
SCHEMBL1226421 0.71 TDP1 (0.36)
Methyl Alcohol SCHEMBL28933567 0.71
SCHEMBL28227175 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 320 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478192-B Method for separating neopentyl glycol from DL-pantolactone synthesis feed liquid 安徽泰格生物科技有限公司 2023-06-09 CN claimed
CN-114478192-A Method for separating neopentyl glycol from DL-pantoic acid lactone synthetic material liquid 安徽泰格生物科技有限公司 2022-05-13 CN claimed
CN-112321542-A Preparation method of DL-pantoic acid lactone 安徽泰格生物科技有限公司 2021-02-05 CN claimed
CN-110845362-A Preparation method of hydroxypivaonitrile 安徽泰格生物科技有限公司 2020-02-28 CN claimed
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN claimed
CN-110382504-A Process for preparing fungicidal compounds 吉利德阿波罗公司 2019-10-25 CN claimed
CN-107129435-B A method of preparing 2-amino-2-methyl-1-propanol 万华化学集团股份有限公司 2019-07-23 CN claimed
WO-2018161008-A1 PROCESSES FOR THE PREPARATION OF FUNGICIDAL COMPOUNDS GILEAD APOLLO, LLC (US) 2018-09-07 WO claimed
CN-107129435-A A kind of method for preparing the propyl alcohol of 2 amino, 2 methyl 1 万华化学集团股份有限公司 2017-09-05 CN claimed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US claimed
EP-4423075-B1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-03-25 EP disclosed
US-20260042759-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2026-02-12 US disclosed
EP-4288426-B1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-04 EP disclosed
US-12516061-B2 Tricyclic Janus kinase 1 inhibitors, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2026-01-06 US disclosed
US-12466823-B2 Inhibitor containing bicyclic derivative, preparation method therefor and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-11-11 US disclosed
EP-0401722-B1 Use of blowing compositions DAIKIN IND LTD (JP) 1996-04-24 EP disclosed
US-5070113-A MINIMIZATION OF DEPLETION OF OZONE LAYER DAIKIN INDUSTRIES, LTD. (JP) 1991-12-03 US disclosed
EP-0144885-B1 METHOD FOR THE SIMULTANOUS PREPARATION OF NITRILES AND ACRYL AMIDE OR METHACRYL AMIDE BASF Aktiengesellschaft (DE) 1989-07-26 EP disclosed
US-4686302-A Simultaneous preparation of nitriles and acrylamide or methacrylamide BASF AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0144885-A2 Method for the simultanous preparation of nitriles and acryl amide or methacryl amide BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed