⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1535656 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL1534916 | 0.79 | — | — | |
| SCHEMBL5311884 | 0.79 | DGAT1 (0.33) | — | |
| SCHEMBL643188 | 0.79 | KDM4E (0.39) | — | |
| SCHEMBL8155614 | 0.76 | AR (0.35) | — | |
| SCHEMBL10202984 | 0.73 | APP (0.40) | — | |
| SCHEMBL26857734 | 0.70 | ESR1 (0.34) | — | |
| SCHEMBL19837332 | 0.70 | MBOAT4 (0.33) | — | |
| SCHEMBL1535669 | 0.69 | HTR2A (0.35) | — | |
| SCHEMBL5270913 | 0.68 | ESR1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009103478-A1 | PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-27 | — | — | WO | disclosed |