⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8765661 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL27669106 | 0.76 | — | — | |
| SCHEMBL28838693 | 0.72 | HSD17B10 (0.43) | — | |
| SCHEMBL27350154 | 0.71 | — | — | |
| SCHEMBL27294646 | 0.67 | HTT (0.43) | — | |
| SCHEMBL28053872 | 0.66 | DAO (0.44) | — | |
| SCHEMBL3735378 | 0.65 | CSNK2A1 (0.41) | — | |
| SCHEMBL4023724 | 0.65 | KDM4E (0.39) | — | |
| SCHEMBL4626860 | 0.65 | KDM4E (0.46) | — | |
| SCHEMBL10399243 | 0.65 | MAPT (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1053447-C | Enzymatic acylation of 3-hydroxymethyl cephalosporins | BRISTOL MYERS SQUIBB CO (US) | 2000-06-14 | — | — | CN | disclosed |
| CN-1112927-A | Enzymatic acylation of 3-hydroxymethyl cephalosporins | BRISTOL MYERS SQUIBB CO (US) | 1995-12-06 | — | — | CN | disclosed |