⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5995142 | 1.00 | — | — | |
| SCHEMBL3446830 | 1.00 | — | — | |
| SCHEMBL1107430 | 0.73 | — | — | |
| SCHEMBL10247442 | 0.73 | — | — | |
| SCHEMBL9262091 | 0.72 | — | — | |
| SCHEMBL6811233 | 0.72 | — | — | |
| SCHEMBL12333167 | 0.71 | — | — | |
| SCHEMBL3446831 | 0.71 | — | — | |
| SCHEMBL12922184 | 0.70 | NOS2 (0.41) | — | |
| SCHEMBL2097218 | 0.70 | — | — |
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-1142923-C | 12, 13-modified epothilones derivatives | ����˹�ж�-����˹˹������˾ | 2004-03-24 | — | — | CN | disclosed |
| CN-1298398-A | 12,13-modified epothilone derivatives | BRISTOL MYERS SQUIBB CO (US) | 2001-06-06 | — | — | CN | disclosed |