SCHEMBL536361

SCHEMBL536361

CC(C)(C#N)C(=O)O

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 SCHEMBL11066737 0.97
SCHEMBL29131281 0.97
Potassium SCHEMBL29503926 0.97
SCHEMBL29287680 0.78 MCL1 (0.32)
SCHEMBL11250398 0.77
SCHEMBL9277882 0.75
SCHEMBL1343515 0.75
SCHEMBL17224872 0.75
SCHEMBL2146566 0.75
SCHEMBL25201929 0.75 TET2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425687-A Synthesis method of anastrozole 上药康丽(常州)药业有限公司 2023-07-14 CN 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-20120149895-A1 PROCESS FOR DIMETHYLATION OF ACTIVE METHYLENE GROUPS LEK PHARMACEUTICALS D.D. (SI) 2012-06-14 US claimed
EP-2414320-A1 A PROCESS FOR DIMETHYLATION OF ACTIVE METHYLENE GROUPS LEK Pharmaceuticals d.d. (SI) 2012-02-08 EP claimed
WO-2010112482-A1 A PROCESS FOR DIMETHYLATION OF ACTIVE METHYLENE GROUPS LEK PHARMACEUTICALS D.D. (SI) 2010-10-07 WO claimed
US-6730803-B2 PRODUCTION METHOD OF A BETA -KETO ESTER COMPOUND OF CLAIM 1, WHICH COMPRISES CONDENSATION OF A 2-CYANO-2,2-DIMETHYLACETATE SOLUTION TO GIVE 2-CYANO-2,2- DIMETHYLACETATE OF THE FORMULA (II), AND CONDENSATION THEREOF SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-05-04 US claimed
US-20030144533-A1 Synthetic intermediate for epothilone derivative and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-07-31 US claimed
US-4312781-A RECOVERING COBALT CARBONYL OR RUTHENIUM CARBONYL STANDARD OIL COMPANY (US) 1982-01-26 US claimed
JP-11080103-A None JP disclosed
EP-4568960-B1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
US-12473285-B2 DCN-1 modulating compounds and methods of use thereof CELLARITY, INC. (US) 2025-11-18 US disclosed
US-20250320201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS INC (US) 2025-10-16 US disclosed
US-20250262201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-08-21 US disclosed
US-4299979-A CORROSION RESISTANT COATING DESOTO, INC. (US) 1981-11-10 US disclosed
US-4238357-A CATALYST COMPRISING COBALT OR RUTHENIUM CARBONYL AND AN N-OXYGEN-SUBSTITUTED NITROGEN HETEROCYCLIC PROMOTER LIGAND STANDARD OIL COMPANY (US) 1980-12-09 US disclosed
US-4235744-A Carbonylation of olefinically unsaturated compounds STANDARD OIL COMPANY (OHIO) (US) 1980-11-25 US disclosed
US-4109006-A 1,4-DITHIINOXIDES WARREN-TEED LABORATORIES, INC. (US) 1978-08-22 US disclosed
US-4028090-A Herbicidal use of 5-cyanoalkyl-1,3,4-thiadiazol-2-ylureas ELI LILLY AND COMPANY (US) 1977-06-07 US disclosed
US-3959303-A HERBICIDE ELI LILLY AND COMPANY (US) 1976-05-25 US disclosed