SCHEMBL9324431

SCHEMBL9324431

O=C(O)C1=CS[C@@H]2/C(=C\c3cn(CCO)nn3)C(=O)N12

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
SCHEMBL9324443 1.00
Water SCHEMBL9326435 0.99
Water SCHEMBL9326427 0.99
SCHEMBL9324392 0.86
SCHEMBL9324405 0.86
SCHEMBL3549918 0.84
SCHEMBL9663942 0.84
SCHEMBL3549923 0.84
SCHEMBL9666157 0.84
SCHEMBL10643498 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321186-B1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1994-03-02 EP claimed
US-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US claimed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP claimed
EP-0321186-B1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1994-03-02 EP disclosed
EP-0321187-B1 6-(SUBSTITUTED METHYLENE)PENEMS BEECHAM GROUP PLC (GB) 1993-07-28 EP disclosed
US-4931434-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-06-05 US disclosed
US-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US disclosed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed
EP-0321187-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed