SCHEMBL535914

SCHEMBL535914

COC(=O)C(C)(C)C#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
SCHEMBL28947452 0.93 DGAT1 (0.37)
SCHEMBL18704226 0.79 DGAT1 (0.41)
SCHEMBL28447177 0.77
SCHEMBL9755814 0.77 DGAT1 (0.44)
SCHEMBL7064758 0.76
SCHEMBL29170903 0.75
SCHEMBL28408723 0.75
SCHEMBL28408720 0.75
SCHEMBL1464716 0.74
SCHEMBL7583990 0.73 DGAT1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-113017195-B Tear-resistant heel nail and preparation process thereof 温州市三盟鞋业有限公司 2022-07-12 CN claimed
CN-113017195-A Tear-resistant heel nail and preparation process thereof 温州市三盟鞋业有限公司 2021-06-25 CN claimed
US-8759580-B2 Method for the production of aminoalkane acid amides BASF SE (DE) 2014-06-24 US claimed
US-20080306299-A1 Method for the Production of Aminoalkane Acid Amides BASF SE (DE) 2008-12-11 US claimed
CN-122059984-A Ester nitrile compound, electrolyte, electrochemical device and vehicle 北京车和家汽车科技有限公司 2026-05-19 CN disclosed
US-12545662-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2026-02-10 US disclosed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-20250034150-A1 BTK INHIBITORS BIOGEN MA INC. 2025-01-30 US disclosed
CN-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed
CN-118804915-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2024-10-18 CN disclosed
EP-4429770-A1 BTK INHIBITORS Biogen MA Inc. (US) 2024-09-18 EP disclosed
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
US-5618953-A Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1997-04-08 US disclosed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed
US-5532386-A CATALYTIC CARBONIC ESTER AND A TERTIARY AMINE BASF AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
US-4299979-A CORROSION RESISTANT COATING DESOTO, INC. (US) 1981-11-10 US disclosed