⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3837718 | 0.69 | — | — | |
| SCHEMBL12570747 | 0.69 | — | — | |
| SCHEMBL8071351 | 0.63 | — | — | |
| SCHEMBL9067812 | 0.60 | — | — | |
| SCHEMBL10034879 | 0.56 | — | — | |
| SCHEMBL12992997 | 0.50 | — | — | |
| SCHEMBL24304349 | 0.47 | — | — | |
| SCHEMBL1784800 | 0.46 | — | — | |
| SCHEMBL5944764 | 0.45 | — | — | |
| SCHEMBL11716158 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7211593-B2 | C12-cyano epothilone derivatives | BRISTOL-MYERS SQUIBB CO. (US) | 2007-05-01 | — | — | US | disclosed |
| US-20030186965-A1 | C12-cyano epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY | 2003-10-02 | — | — | US | disclosed |
| WO-2003077903-A1 | C12-CYANO EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-25 | — | — | WO | disclosed |