⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276051 | 0.71 | KDM4E (0.41) | — | |
| SCHEMBL277695 | 0.71 | MAP4K4 (0.42) | — | |
| SCHEMBL7981382 | 0.70 | CYP1A2 (0.50) | — | |
| SCHEMBL17497065 | 0.70 | MAPK1 (0.33) | — | |
| SCHEMBL23166179 | 0.67 | ERN1 (0.32) | — | |
| SCHEMBL24165631 | 0.67 | ESR2 (0.34) | — | |
| SCHEMBL84064 | 0.67 | NCF1 (0.52) | — | |
| SCHEMBL2651244 | 0.67 | — | — | |
| SCHEMBL29376435 | 0.67 | NCF1 (0.52) | — | |
| SCHEMBL6140328 | 0.67 | NCF1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6593325-B1 | Method for the treatment of anxiety which comprises administering to a patient in need of such treatment an effective amount of the compound of claim 1 or a pharmaceutically acceptable salt thereof. | MERCK SHARP & DOHME LTD. (GB) | 2003-07-15 | — | — | US | disclosed |
| EP-1214320-A1 | PYRIDO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001018001-A1 | PYRIDO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-03-15 | — | — | WO | disclosed |