⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2149856 | 0.85 | TRPA1 (0.30) | — | |
| SCHEMBL3237219 | 0.85 | CISD1 (0.30) | — | |
| SCHEMBL2149083 | 0.75 | — | — | |
| SCHEMBL3237183 | 0.75 | — | — | |
| SCHEMBL3232167 | 0.75 | — | — | |
| SCHEMBL3236395 | 0.74 | — | — | |
| SCHEMBL3239111 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL3237292 | 0.70 | — | — | |
| SCHEMBL2149678 | 0.68 | — | — | |
| SCHEMBL2150027 | 0.63 | NPC1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |