⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1979648 | 0.88 | HCAR2 (0.31) | — | |
| SCHEMBL1975299 | 0.74 | KMT2A (0.37) | — | |
| SCHEMBL2031946 | 0.73 | CNR2 (0.36) | — | |
| SCHEMBL9947675 | 0.70 | LDHA (0.38) | — | |
| SCHEMBL1971761 | 0.70 | HCAR3 (0.31) | — | |
| SCHEMBL10150603 | 0.69 | CNR1 (0.44) | — | |
| SCHEMBL14562434 | 0.68 | KDM5A (0.40) | — | |
| SCHEMBL2149306 | 0.68 | CA12 (0.37) | — | |
| SCHEMBL9947969 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL9947652 | 0.66 | GAA (0.47) | — |
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-2513061-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | claimed |
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | claimed |
| EP-2513061-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | disclosed |
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | disclosed |