⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14567541 | 1.00 | — | — | |
| SCHEMBL5514643 | 1.00 | — | — | |
| SCHEMBL5514636 | 1.00 | — | — | |
| SCHEMBL14567536 | 0.91 | — | — | |
| SCHEMBL5508276 | 0.91 | — | — | |
| SCHEMBL5508268 | 0.91 | — | — | |
| SCHEMBL14567538 | 0.89 | — | — | |
| SCHEMBL14567456 | 0.87 | — | — | |
| SCHEMBL14532836 | 0.87 | — | — | |
| SCHEMBL7134513 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1417195-A1 | CERTAIN SUBSTITUTED POLYKETIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN TREATING TUMORS | Novartis AG (CH) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003014102-A1 | CERTAIN SUBSTITUTED POLYKETIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN TREATING TUMORS | NOVARTIS AG (CH) | 2003-02-20 | — | — | WO | disclosed |