⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5428762 | 0.93 | HTR2A (0.30) | — | |
| SCHEMBL23330053 | 0.84 | — | — | |
| SCHEMBL24069775 | 0.84 | — | — | |
| SCHEMBL5429965 | 0.80 | HTR2A (0.31) | — | |
| SCHEMBL5432009 | 0.78 | — | — | |
| SCHEMBL5187155 | 0.78 | OPRM1 (0.30) | — | |
| SCHEMBL2387067 | 0.76 | HTR2A (0.31) | — | |
| SCHEMBL11007598 | 0.76 | HTR2A (0.31) | — | |
| SCHEMBL5783631 | 0.76 | HTR2A (0.31) | — | |
| SCHEMBL13383443 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070275990-A1 | Heterocyclic Spiro Compound | ONO PHARMACEUTICAL CO., LTD. | 2007-11-29 | — | — | US | disclosed |
| EP-1683797-A1 | HETEROCYCLIC SPIRO COMPOUND | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-07-26 | — | — | EP | disclosed |