⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30583082 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL5946432 | 0.70 | CYP3A4 (0.40) | — | |
| SCHEMBL30228515 | 0.69 | IDO1 (0.33) | — | |
| SCHEMBL9476338 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL10639171 | 0.67 | PDE10A (0.34) | — | |
| SCHEMBL11253328 | 0.65 | S1PR2 (0.36) | — | |
| SCHEMBL10757704 | 0.65 | L3MBTL1 (0.33) | — | |
| SCHEMBL10611742 | 0.65 | TDP1 (0.33) | — | |
| SCHEMBL10933081 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL18103941 | 0.63 | PDE10A (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-4672125-A | Chlorination of β-methylpyridine compounds | THE DOW CHEMICAL COMPANY (US) | 1987-06-09 | — | — | US | claimed |
| US-4672125-A | Chlorination of β-methylpyridine compounds | THE DOW CHEMICAL COMPANY (US) | 1987-06-09 | — | — | US | disclosed |