⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12406763 | 1.00 | — | — | |
| SCHEMBL9735271 | 1.00 | — | — | |
| SCHEMBL405356 | 0.81 | — | — | |
| SCHEMBL391371 | 0.81 | — | — | |
| SCHEMBL391370 | 0.81 | — | — | |
| SCHEMBL13901633 | 0.79 | MAPT (0.48) | — | |
| SCHEMBL22840045 | 0.79 | — | — | |
| SCHEMBL28265341 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL16739275 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL20204382 | 0.77 | ALDH1A1 (0.39) | — |
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-5098922-A | Anticonvulsants | CIBA-GEIGY CORPORATION (US) | 1992-03-24 | — | — | US | disclosed |
| US-5045556-A | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |