SCHEMBL9602479

SCHEMBL9602479

C#CC(CC)(CC)O[C]=O

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
SCHEMBL3101539 0.75
SCHEMBL18843152 0.72
SCHEMBL2105408 0.70 L3MBTL1 (0.32)
SCHEMBL2101962 0.70 TDP1 (0.36)
SCHEMBL2104586 0.70
SCHEMBL2106803 0.70
SCHEMBL21402220 0.70 TSHR (0.31)
SCHEMBL2105379 0.70 L3MBTL1 (0.32)
SCHEMBL73174 0.69
SCHEMBL16411207 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0123442-B1 IMPROVEMENTS IN OR RELATING TO A PROCESS FOR PRODUCING BETA-LACTAM COMPOUNDS THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1988-06-15 EP disclosed
US-4675399-A N-HYDROXY-2-AZETIDINONES; ACYLATION, SOLVOLYSIS NOTRE DAME UNIVERSITY (US) 1987-06-23 US disclosed
US-4565654-A BETA-LACTAMASE ENZYME INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-01-21 US disclosed
EP-0123442-A1 Improvements in or relating to a process for producing beta-lactam compounds THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-10-31 EP disclosed