⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3556724 | 0.62 | — | — | |
| SCHEMBL8625860 | 0.59 | — | — | |
| SCHEMBL174331 | 0.55 | — | — | |
| SCHEMBL16050529 | 0.54 | — | — | |
| SCHEMBL855088 | 0.54 | — | — | |
| SCHEMBL4505762 | 0.49 | — | — | |
| Ethylenediamine SCHEMBL29210069 | 0.46 | HSP90AA1 (0.33) | — | |
| Ethylenediamine SCHEMBL37647 | 0.39 | — | — | |
| Ethylenediamine SCHEMBL30253568 | 0.39 | — | — | |
| Ethylenediamine SCHEMBL7085968 | 0.39 | NFKB1 (0.50) | — |
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 |