⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL11360563 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6656237 | 0.78 | — | — | |
| Methane SCHEMBL11357049 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6922206 | 0.78 | — | — | |
| Pyridazine SCHEMBL8874420 | 0.68 | ALDH1A1 (0.30) | — | |
| Benzene SCHEMBL10729902 | 0.66 | TSHR (0.53) | — | |
| Pyridine SCHEMBL545571 | 0.66 | TSHR (0.53) | — | |
| Pyridine SCHEMBL3844909 | 0.64 | TSHR (0.50) | — | |
| Benzene SCHEMBL11775361 | 0.64 | ALDH1A1 (0.42) | — | |
| Benzene SCHEMBL9989943 | 0.63 | ALDH1A1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050256122-A1 | Substituted pyridazinones | PHARMACIA CORPORATION | 2005-11-17 | — | — | US | disclosed |
| WO-2005007632-A1 | SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 | PHARMACIA CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |
| US-20050020594-A1 | Substituted pyridazinones | PHARMACIA CORPORATION | 2005-01-27 | — | — | US | disclosed |
| EP-1470112-A1 | SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 | Pharmacia Corporation (US) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003059891-A1 | SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 | PHARMACIA CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |