SCHEMBL140084

SCHEMBL140084

CC(C)(C)OC(=O)C[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
Pyridine SCHEMBL27338059 0.81 KDM4E (0.36)
SCHEMBL610882 0.80
SCHEMBL644646 0.79 TSHR (0.45)
SCHEMBL241533 0.79 DGAT1 (0.46)
SCHEMBL2963000 0.78 HDAC6 (0.42)
SCHEMBL28378968 0.77 ALDH1A1 (0.39)
Methyl Alcohol SCHEMBL27995686 0.77 DGAT1 (0.44)
SCHEMBL140085 0.77
SCHEMBL63935 0.77
SCHEMBL10606 0.76 HDAC6 (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 735 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 US claimed
CN-115003665-A Substituted aminoquinolones as immunoactive DGK alpha inhibitors 拜耳公司 2022-09-02 CN claimed
EP-3666767-B1 PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-12-01 EP claimed
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-06-22 US claimed
WO-2021105117-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO claimed
CN-109134429-B Phthalazinone compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-01 CN claimed
EP-3666767-A1 PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-17 EP claimed
US-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-11 US claimed
CN-109134429-A Phthalazines ketone compounds, preparation method, pharmaceutical composition and purposes 中国科学院上海药物研究所 2019-01-04 CN claimed
US-10155749-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US claimed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
EP-0267378-B1 TROPOLONE DERIVATIVES AS AN ANTI-MYCOPLASMA AGENT SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI &amp; CO. LTD. (JP) 1992-11-04 EP claimed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 EP claimed
WO-1990011276-A1 NOVEL PROCESS FOR PRODUCING OPTICALLY ACTIVE BICYCLO [3.3.0] -OCTANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-10-04 WO claimed
US-4871860-A Syn-isomer of 3,7-disubstituted-3-cephem-4-caroxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 US claimed
EP-0267378-A2 Tropolone derivatives as an anti-mycoplasma agent SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI &amp; CO. LTD. (JP) 1988-05-18 EP claimed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP claimed
EP-0002774-B1 PROCESS FOR ACYLATING 7AMINOCEPHEM DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP claimed