⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6379615 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL4922614 | 0.79 | — | — | |
| SCHEMBL4914351 | 0.67 | CYP2D6 (0.35) | — | |
| SCHEMBL16915510 | 0.67 | — | — | |
| SCHEMBL932427 | 0.63 | — | — | |
| SCHEMBL23706664 | 0.63 | — | — | |
| SCHEMBL11848680 | 0.63 | — | — | |
| SCHEMBL10691210 | 0.62 | LTA4H (0.37) | — | |
| SCHEMBL5864938 | 0.62 | — | — | |
| SCHEMBL632364 | 0.61 | PDE10A (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1251846-A4 | C-4 CARBONATE TAXANES | BRISTOL MYERS SQUIBB CO (US) | 2003-03-12 | — | — | EP | disclosed |
| EP-1251846-A1 | C-4 CARBONATE TAXANES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001056565-A1 | C-4 CARBONATE TAXANES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |