⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2849305 | 1.00 | — | — | |
| SCHEMBL22689 | 0.89 | — | — | |
| Water SCHEMBL28489054 | 0.80 | — | — | |
| Potassium SCHEMBL321057 | 0.80 | — | — | |
| SCHEMBL29195976 | 0.80 | — | — | |
| Water SCHEMBL25354626 | 0.80 | — | — | |
| Phosphine SCHEMBL5852309 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL2749074 | 0.80 | — | — | |
| Potassium SCHEMBL10534898 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL6043 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4505928-A | ANTITUMOR | ENGELHARD CORPORATION (US) | 1985-03-19 | — | — | US | disclosed |
| US-4271085-A | ANTITUMOR AGENTS | ENGELHARD MINERALS & CHEMICALS CORPORATION (US) | 1981-06-02 | — | — | US | disclosed |