SCHEMBL8806239

SCHEMBL8806239

C/C(=C1\C(=O)N2C(C(=O)O)=CS[C@H]12)c1c[nH]nn1

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
SCHEMBL3549920 1.00
Water SCHEMBL10644392 0.99
Water SCHEMBL10643662 0.99
Water SCHEMBL10644904 0.99
SCHEMBL9324400 0.82
SCHEMBL9324438 0.82
Water SCHEMBL9326433 0.81
SCHEMBL11021669 0.81
SCHEMBL9664052 0.81
SCHEMBL9325751 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210814-A1 6-(Substituted methylene) penems BEECHAM GROUP PLC (GB) 1987-02-04 EP claimed
EP-0232966-B1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1997-10-08 EP disclosed
US-5114929-A Oral administration of antibiotics from an unpressurized container BEECHAM GROUP P.L.C. (GB) 1992-05-19 US disclosed
EP-0291304-B1 PROCESS FOR THE CONVERSION OF THE E-ISOMER OF 6-(SUBSTITUTED METHYLENE)-2-PENEMS INTO THE Z-ISOMER BEECHAM GROUP PLC (GB) 1992-02-26 EP disclosed
EP-0291304-A1 Process for the conversion of the E-isomer of 6-(substituted methylene)-2-penems into the Z-isomer BEECHAM GROUP PLC (GB) 1988-11-17 EP disclosed
US-4774238-A BACTERICIDES, BETA-LACTAMASE INHIBITORS BEECHAM GROUP PLC (GB) 1988-09-27 US disclosed
EP-0232966-A1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1987-08-19 EP disclosed
EP-0210814-A1 6-(Substituted methylene) penems BEECHAM GROUP PLC (GB) 1987-02-04 EP disclosed