⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11087735 | 1.00 | — | — | |
| SCHEMBL18053166 | 0.74 | — | — | |
| SCHEMBL7590991 | 0.74 | — | — | |
| SCHEMBL7590984 | 0.74 | — | — | |
| SCHEMBL790476 | 0.71 | — | — | |
| SCHEMBL31376367 | 0.70 | TDP1 (0.30) | — | |
| SCHEMBL7594482 | 0.67 | — | — | |
| SCHEMBL7594478 | 0.67 | — | — | |
| SCHEMBL10952242 | 0.65 | — | — | |
| SCHEMBL10952236 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4490414-A | ANTITUMOR AGENTS, SKIN DISORDER | SRI INTERNATIONAL (US) | 1984-12-25 | — | — | US | disclosed |