⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28527803 | 0.83 | — | — | |
| SCHEMBL5548837 | 0.77 | — | — | |
| SCHEMBL28775608 | 0.77 | — | — | |
| Pyrazole SCHEMBL28743896 | 0.75 | — | — | |
| SCHEMBL1628819 | 0.74 | — | — | |
| SCHEMBL1551056 | 0.74 | — | — | |
| SCHEMBL19520942 | 0.74 | — | — | |
| SCHEMBL1228637 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL194829 | 0.73 | CA12 (0.39) | — | |
| SCHEMBL5321558 | 0.73 | MAPT (0.33) | — |
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-4446651-A | TREATING LIVING TREE WITH BIPYRIDYLIUM SALT | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-05-08 | — | — | US | claimed |
| US-4446651-A | TREATING LIVING TREE WITH BIPYRIDYLIUM SALT | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-05-08 | — | — | US | disclosed |