⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5637066 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL1358916 | 0.60 | CA1 (0.33) | — | |
| SCHEMBL3721700 | 0.58 | — | — | |
| SCHEMBL11435867 | 0.53 | POLB (0.37) | — | |
| SCHEMBL5701821 | 0.49 | CA1 (0.33) | — | |
| SCHEMBL5701758 | 0.49 | RAPGEF4 (0.33) | — | |
| SCHEMBL417479 | 0.46 | — | — | |
| SCHEMBL1359603 | 0.43 | — | — | |
| SCHEMBL5897680 | 0.36 | — | — | |
| SCHEMBL1030867 | 0.36 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532120-B1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2009-01-14 | — | — | EP | disclosed |
| US-20060235021-A1 | Phenylpyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2006-10-19 | — | — | US | disclosed |
| EP-1532120-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004014865-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-02-19 | — | — | WO | disclosed |