SCHEMBL97330

SCHEMBL97330

CN(C)C(=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
SCHEMBL1564895 0.76
SCHEMBL1191256 0.74 ALDH1A1 (0.63)
SCHEMBL283475 0.74 ALDH1A1 (0.48)
SCHEMBL425263 0.73
SCHEMBL2785008 0.71
SCHEMBL1193 0.71
SCHEMBL9640 0.71
SCHEMBL5581818 0.71
SCHEMBL14521387 0.71
SCHEMBL6167668 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606887-B Novel kinase inhibitor 安徽中科拓苒药物科学研究有限公司 2023-03-17 CN claimed
US-20220143001-A1 NOVEL PAN-RAF KINASE INHIBITOR AND USE THEREOF Tarapeutics Science Inc. (CN) 2022-05-12 US claimed
EP-3932913-A1 NEW-TYPE PAN-RAF KINASE INHIBITOR AND USE THEREOF Tarapeutics Science Inc. (CN) 2022-01-05 EP claimed
CN-111606887-A Novel kinase inhibitor 安徽中科拓苒药物科学研究有限公司 2020-09-01 CN claimed
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 EP claimed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP claimed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US claimed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US claimed
EP-3204374-A1 ISOINDOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-16 EP claimed
WO-2016055482-A1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP claimed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US claimed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO claimed
EP-0165422-B1 SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1988-03-09 EP claimed
EP-0094641-B1 DIPHENYL SULFONE COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-10 EP claimed
US-4565569-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-21 US claimed
EP-0165422-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 EP claimed
US-4545812-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-08 US claimed
EP-0094641-A2 Diphenyl sulfone compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-23 EP claimed