⚠ 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 | |
|---|---|---|---|---|
| Cetohexazine SCHEMBL2734313 | 0.76 | — | — | |
| SCHEMBL956710 | 0.73 | — | — | |
| SCHEMBL25305179 | 0.73 | — | — | |
| SCHEMBL12157513 | 0.73 | — | — | |
| SCHEMBL1752841 | 0.71 | ALPL (0.54) | — | |
| SCHEMBL1525332 | 0.70 | ALDH1A1 (0.55) | — | |
| SCHEMBL456115 | 0.70 | — | — | |
| SCHEMBL1754740 | 0.70 | L3MBTL1 (0.61) | — | |
| SCHEMBL26547096 | 0.70 | GRIN2D (0.37) | — | |
| SCHEMBL8481019 | 0.70 | GRIN2D (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2968324-B1 | SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2018-04-18 | — | — | EP | disclosed |