SCHEMBL6622544

SCHEMBL6622544

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cn4cnc(SCC[N+]56CCN(CC5)CC6)c4s3)[C@H](C)[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
Bromide SCHEMBL6622846 0.93 CACNA1C (0.32)
SCHEMBL7722545 0.86 ABCC2 (0.32)
Bromide SCHEMBL7544234 0.85
SCHEMBL7722566 0.85 ABCC2 (0.33)
SCHEMBL6625081 0.82 ABCC2 (0.32)
SCHEMBL7728165 0.82 ABCC2 (0.34)
SCHEMBL7731900 0.81 ABCC2 (0.35)
SCHEMBL6624812 0.81 CACNA1C (0.34)
SCHEMBL6772792 0.81 CACNA1C (0.34)
SCHEMBL6621372 0.80 CACNA1C (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251133-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2004-10-13 EP disclosed
US-6680313-B2 1-HYDROXYETHYL-2(IMIDAZO(5,1B)THIAZOL-2-YL-1-CARBAPEN-2-EM-3-C CARBOXYLIC ACID OR SALT, EXCELLENT ANTIBIOTIC ACTIVITY AGAINST A WIDE SPECTRUM OF BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030027809-A1 Novel carbapenum derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-06 US disclosed
EP-1251133-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed