⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7002532 | 0.88 | — | — | |
| SCHEMBL7003302 | 0.81 | GABRA1 (0.42) | — | |
| SCHEMBL2656876 | 0.79 | GABRA1 (0.50) | — | |
| SCHEMBL7003211 | 0.78 | GABRA1 (0.50) | — | |
| SCHEMBL2658890 | 0.78 | GABRA1 (0.35) | — | |
| SCHEMBL2657308 | 0.78 | GABRG2 (0.54) | — | |
| SCHEMBL2656880 | 0.77 | GABRA1 (0.37) | — | |
| SCHEMBL2658048 | 0.73 | GABRA1 (0.42) | — | |
| SCHEMBL2657908 | 0.70 | GABRA1 (0.60) | — | |
| SCHEMBL6997776 | 0.69 | GABRA1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1107967-B1 | TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION | MERCK SHARP & DOHME (GB) | 2003-05-14 | — | — | EP | claimed |