SCHEMBL97236

SCHEMBL97236

CNC(=O)CC(C)C

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
Hydrochloric Acid SCHEMBL11001835 0.97
Trifluoroacetic Acid SCHEMBL30409309 0.84 LMNA (0.37)
Trifluoroacetic Acid SCHEMBL30408756 0.84 LMNA (0.37)
SCHEMBL17447544 0.83 PSMB5 (0.53)
SCHEMBL2785652 0.82 MCL1 (0.40)
SCHEMBL13627720 0.80
SCHEMBL13451612 0.80
SCHEMBL5670925 0.80
SCHEMBL15145452 0.79 MMP2 (0.40)
SCHEMBL14532758 0.79 MMP2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790440-B Tire puncture repair material and tire puncture repair kit 横滨橡胶株式会社 2022-04-08 CN claimed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
EP-1682104-A2 MIGRAINE TREATMENTS INCLUDING ISOVALERAMIDE COMPOUNDS AND SEROTONIN AGONISTS NPS PHARMACEUTICALS, INC. (US) 2006-07-26 EP claimed
WO-2005046659-A2 MIGRAINE TREATMENTS INCLUDING ISOVALERAMIDE COMPOUNDS AND SEROTONIN AGONISTS NPS PHARMACEUTICALS, INC. (US) 2005-05-26 WO claimed
EP-1064257-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP claimed
WO-1999048860-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO claimed
CN-1028227-C Pharmacologically active 1,5-diarly-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1995-04-19 CN claimed
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-09 US disclosed
EP-4601701-A1 ANTIBODY-DRUG CONJUGATE BINDING TO HUMAN PTK7 AND METHOD FOR PREPARATION AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-08-20 EP disclosed
EP-4596550-A1 COMPOUND USABLE IN CONJUGATION REACTION AND CONJUGATE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-08-06 EP disclosed
US-12357701-B2 Anti-HER2 biparatopic antibody-drug conjugates and methods of use ZYMEWORKS BC INC. (CA) 2025-07-15 US disclosed
CN-119997983-A Antibody drug conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-05-13 CN disclosed
CN-114025795-B Methods of treating biliary tract cancer using bispecific antigen binding constructs that target HER2 酵活英属哥伦比亚有限公司 2025-04-29 CN disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed
EP-0430738-A2 Use of an imidazopyridine for the manufacture of anesthetic medicaments SYNTHELABO (FR) 1991-06-05 EP disclosed
US-4880930-A ANXIOLYTIC AGENTS BRISTOL-MYERS COMPANY, A CORP. OF DE. 1989-11-14 US disclosed
EP-0318933-A2 Psychotropic acyclic amide derivatives, a process for preparing them and pharmaceutical compositions Bristol-Myers Squibb Company (US) 1989-06-07 EP disclosed
EP-0013044-A1 L-aspartyl amide derivatives and their use as sweetening agents THE PROCTER &amp; GAMBLE COMPANY (US) 1980-07-09 EP disclosed