⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25827963 | 0.79 | TRPA1 (0.30) | — | |
| SCHEMBL23169287 | 0.75 | — | — | |
| SCHEMBL13900366 | 0.75 | ESR2 (0.43) | — | |
| SCHEMBL4356946 | 0.75 | — | — | |
| SCHEMBL16750985 | 0.73 | — | — | |
| SCHEMBL499143 | 0.73 | — | — | |
| SCHEMBL180095 | 0.73 | — | — | |
| SCHEMBL6758325 | 0.73 | — | — | |
| SCHEMBL7909495 | 0.73 | — | — | |
| SCHEMBL16730136 | 0.73 | — | — |
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-2008112205-A1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |