⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3045246 | 0.83 | — | — | |
| SCHEMBL533253 | 0.78 | — | — | |
| SCHEMBL6797667 | 0.78 | — | — | |
| SCHEMBL27625038 | 0.78 | — | — | |
| SCHEMBL15013570 | 0.75 | — | — | |
| SCHEMBL533287 | 0.75 | KCNH2 (0.38) | — | |
| SCHEMBL7367223 | 0.74 | TAAR1 (0.36) | — | |
| SCHEMBL27913743 | 0.74 | — | — | |
| SCHEMBL2809595 | 0.73 | — | — | |
| SCHEMBL533865 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235829-A2 | PYRAZOLO 1,5-D] 1,2,4]TRIAZINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LTD. (GB) | 2002-09-04 | — | — | EP | disclosed |
| US-6355638-B1 | COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |
| WO-2001038331-A2 | PYRAZOLO[1,5-D][1,2,4]TRIAZINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2001-05-31 | — | — | WO | disclosed |