SCHEMBL9898327

SCHEMBL9898327

C[C@@H](O)[C@H](N)CS

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
SCHEMBL1461763 1.00
SCHEMBL5050483 0.80 ANPEP (0.35)
SCHEMBL28114968 0.73
SCHEMBL6659001 0.73
SCHEMBL20845807 0.73
SCHEMBL23855064 0.73
SCHEMBL14391700 0.73
SCHEMBL12341488 0.73
SCHEMBL1972801 0.71
SCHEMBL3877473 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114288385-B Preparation method of octreotide acetate preparation 苏州天马医药集团天吉生物制药有限公司 2024-01-19 CN disclosed
CN-114288385-A Preparation method of octreotide acetate preparation 苏州天马医药集团天吉生物制药有限公司 2022-04-08 CN disclosed
US-20210253520-A1 POLYMYXIN-BASED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS UNIVERSITAT DE BARCELONA (ES) 2021-08-19 US disclosed
EP-3833675-A1 POLYMYXIN-BASED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Universitat de Barcelona (ES) 2021-06-16 EP disclosed
EP-3636659-A1 POLYMYXIN-BASED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Universitat de Barcelona (ES) 2020-04-15 EP disclosed
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed