SCHEMBL1574071

SCHEMBL1574071

CC(C)CC(=O)[S]

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
SCHEMBL6722179 0.75
SCHEMBL6721824 0.75
SCHEMBL6721999 0.75
SCHEMBL6722489 0.75
SCHEMBL1882238 0.73
SCHEMBL10834211 0.72 CYP2C19 (0.59)
SCHEMBL108864 0.72 CA2 (0.61)
SCHEMBL36990 0.72 CYP2C19 (0.59)
SCHEMBL27107 0.69
Fluoride SCHEMBL5203462 0.69 CYP2C19 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180850-A2 Antimycotic azolyl-methyl-cyclopropyl-carbinol derivatives BAYER AG (DE) 1986-05-14 EP claimed
CN-112512529-B Cyclopentenepurine derivative or salt thereof 富士胶片株式会社 2024-06-18 CN disclosed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
EP-3831388-B1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FOR USE IN SUPPRESSING ADENOVIRUS FUJIFILM CORP (JP) 2024-02-28 EP disclosed
US-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2023-09-21 US disclosed
EP-3831836-B1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2023-09-06 EP disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
CN-107428700-B 9-membered fused ring derivative 盐野义制药株式会社 2021-08-03 CN disclosed
CN-107148423-B Thionucleoside derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2021-07-30 CN disclosed
EP-3831836-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2021-06-09 EP disclosed
US-4895835-A IMMUNOMODULATORS NISSHIN OIL MILLS, LTD. (JP) 1990-01-23 US disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed
EP-0330923-A2 Nikkomycin derivatives, antimycotic compositions of nikkomycin derivatives and azole antimycotics BAYER AG (DE) 1989-09-06 EP disclosed
EP-0319316-A2 Griseolic acid monoesters, their preparation and use SANKYO COMPANY LIMITED (JP) 1989-06-07 EP disclosed
EP-0315861-A1 Antimycotic compositions of a nikkomycin compound and an antimycotic azole BAYER AG (DE) 1989-05-17 EP disclosed
EP-0115273-B1 ALDOSTERONE-ANTAGONISTIC STEROIDS SHIONOGI & CO., LTD. (JP) 1986-11-20 EP disclosed
EP-0180136-A2 Substituted azolylmethyl-cyclopropyl carbinol derivatives BAYER AG (DE) 1986-05-07 EP disclosed
US-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 US disclosed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 EP disclosed
US-4350692-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-21 US disclosed