⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22275519 | 0.89 | DUT (0.30) | — | |
| SCHEMBL22275464 | 0.88 | — | — | |
| SCHEMBL22275273 | 0.78 | — | — | |
| SCHEMBL23277244 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL2654829 | 0.74 | DUT (0.30) | — | |
| SCHEMBL22275460 | 0.74 | — | — | |
| SCHEMBL22275395 | 0.73 | SORD (0.31) | — | |
| SCHEMBL24915170 | 0.69 | DUT (0.31) | — | |
| SCHEMBL25290933 | 0.68 | DUT (0.30) | — | |
| SCHEMBL21802234 | 0.67 | MAPT (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900209-B2 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | MERCK SHARP & DOHME LTD. | 2005-05-31 | — | — | US | disclosed |
| US-20040043982-A1 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | MERCK SHARP & DOHME LTD. (GB) | 2004-03-04 | — | — | US | disclosed |
| EP-1150983-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000047582-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | disclosed |