SCHEMBL3874111

SCHEMBL3874111

CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1N

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
SCHEMBL28431273 1.00
SCHEMBL15481359 0.87
SCHEMBL12872270 0.85 MEN1 (0.62)
SCHEMBL15259238 0.85 MEN1 (0.62)
SCHEMBL18540497 0.84 MEN1 (0.43)
SCHEMBL28432559 0.83
SCHEMBL28384148 0.83
SCHEMBL14949873 0.81
Oseltamivir Carboxylate SCHEMBL182903 0.81
Oseltamivir Carboxylate SCHEMBL14080012 0.81

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793045-B Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2021-04-16 CN claimed
CN-111793045-A Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2020-10-20 CN claimed
CN-111517978-A cyclohexenyl-DL-aspartic acid derivative, preparation method, composition and application thereof 中山万汉制药有限公司 2020-08-11 CN claimed
CN-111470999-A N-cyclohexenyl-fatty amide compound and preparation method, composition and application thereof 中山万汉制药有限公司 2020-07-31 CN claimed
CN-111793045-B Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2021-04-16 CN disclosed
CN-111793045-A Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2020-10-20 CN disclosed
CN-111517978-A cyclohexenyl-DL-aspartic acid derivative, preparation method, composition and application thereof 中山万汉制药有限公司 2020-08-11 CN disclosed
CN-111470999-A N-cyclohexenyl-fatty amide compound and preparation method, composition and application thereof 中山万汉制药有限公司 2020-07-31 CN disclosed
US-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed
US-20140243537-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-28 US disclosed
WO-2013061340-A1 PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-02 WO disclosed
US-7531687-B2 Preparation of oseltamivir phosphate ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20090076296-A1 Preparation of oseltamivir phosphate ROCHE PALO ALTO LLC 2009-03-19 US disclosed