⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11751367 | 0.82 | ALDH3A1 (0.31) | — | |
| SCHEMBL11588685 | 0.70 | ALDH3A1 (0.34) | — | |
| SCHEMBL11753204 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL11749997 | 0.67 | ALDH3A1 (0.31) | — | |
| SCHEMBL10360847 | 0.62 | ALDH3A1 (0.33) | — | |
| SCHEMBL11755948 | 0.61 | — | — | |
| SCHEMBL11591940 | 0.59 | CYP3A4 (0.34) | — | |
| SCHEMBL11768143 | 0.58 | CA1 (0.32) | — | |
| SCHEMBL11590388 | 0.55 | NR1I2 (0.46) | — | |
| SCHEMBL2117199 | 0.55 | KDM4E (0.32) | — |
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-4062853-A | FUNGICIDE | THE DOW CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | claimed |
| US-4062853-A | FUNGICIDE | THE DOW CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | disclosed |