SCHEMBL6773374

SCHEMBL6773374

C[C@@H](O)[C@H]1C(=O)N2C=C(c3cn4cnc(SCCCN(C(=O)OCc5ccc([N+](=O)[O-])cc5)C(N)=NC(=O)OCc5ccc([N+](=O)[O-])cc5)c4s3)[C@](C)(C(=O)O)[C@@H]12

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
SCHEMBL6625097 0.83
SCHEMBL6620220 0.80
SCHEMBL6623188 0.77 L3MBTL1 (0.32)
SCHEMBL6622047 0.75 RAB9A (0.34)
SCHEMBL6623140 0.74 L3MBTL1 (0.32)
SCHEMBL6891052 0.71
SCHEMBL6624731 0.71 L3MBTL1 (0.34)
SCHEMBL6624443 0.66 DPP8 (0.34)
SCHEMBL7722492 0.66 ELANE (0.37)
SCHEMBL7731889 0.65 ELANE (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed