⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11268358 | 1.00 | — | — | |
| SCHEMBL10709785 | 0.75 | — | — | |
| SCHEMBL5619837 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL11863003 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL15261901 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL12864548 | 0.68 | — | — | |
| SCHEMBL5696179 | 0.67 | POLB (0.50) | — | |
| SCHEMBL821102 | 0.67 | POLB (0.50) | — | |
| SCHEMBL5696191 | 0.67 | POLB (0.50) | — | |
| SCHEMBL5905681 | 0.67 | ALDH1A1 (0.40) | — |
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-4342756-A | AS ANTITHROMBOTIC AGENTS AND ANTIASTHMATIC AGENTS | GLAXO GROUP LIMITED (GB) | 1982-08-03 | — | — | US | disclosed |