SCHEMBL445941

SCHEMBL445941

C[CH]OC(=O)C(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
SCHEMBL22556015 0.80
SCHEMBL9545151 0.79 MIF (0.33)
SCHEMBL9545155 0.79 MIF (0.33)
SCHEMBL10470528 0.78
SCHEMBL7787555 0.78
SCHEMBL8924849 0.78
SCHEMBL524350 0.77
SCHEMBL10904895 0.76
SCHEMBL93534 0.74
SCHEMBL2719646 0.74 MIF (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586262-A Nucleoside analogues and uses thereof 苏州旺山旺水生物医药有限公司 2024-02-23 CN claimed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP claimed
EP-3511003-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2021-03-03 EP claimed
EP-3511002-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-08-19 EP claimed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-3558986-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
US-5389625-A Sweet taste; oral administering KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-14 US claimed
US-5196567-A Analgesics, antiinflammatory, antipyretic, fewer side effects KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-03-23 US claimed
EP-0497978-A1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1992-08-12 EP claimed
EP-0108942-B1 CEPHALOSPORIN DERIVATIVES, METHODS OF PRODUCTION THEREOF AND PROPHYLACTIC AND THERAPEUTIC AGENTS FOR BACTERIAL INFECTION KYOTO PHARMA IND (JP) 1988-03-02 EP claimed
EP-0103265-B1 BIPHENYLYLPROPIONIC ACID DERIVATIVE, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1986-12-03 EP claimed
US-4613505-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC THE GREEN CROSS CORPORATION (JP) 1986-09-23 US claimed
US-4605651-A BACTERICIDES KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-08-12 US claimed
EP-0108942-A2 Cephalosporin derivatives, methods of production thereof and prophylactic and therapeutic agents for bacterial infection Kyoto Pharmaceutical Industries, Ltd. (JP) 1984-05-23 EP claimed
EP-0103265-A2 Biphenylylpropionic acid derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1984-03-21 EP claimed
US-4287193-A ANTIBIOTIC DERIVATIVES OF CEPHALOSPORANIC ACID ROUSSEL UCLAF (FR) 1981-09-01 US claimed