⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12711305 | 0.84 | — | — | |
| SCHEMBL13723016 | 0.82 | PNMT (0.36) | — | |
| SCHEMBL13722741 | 0.77 | — | — | |
| SCHEMBL12711315 | 0.71 | CYP2A6 (0.38) | — | |
| SCHEMBL12711280 | 0.71 | KDR (0.32) | — | |
| SCHEMBL12711543 | 0.68 | — | — | |
| SCHEMBL12711271 | 0.67 | NOS3 (0.33) | — | |
| SCHEMBL12711508 | 0.67 | — | — | |
| SCHEMBL19439609 | 0.66 | PNMT (0.38) | — | |
| SCHEMBL18386510 | 0.65 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009099070-A1 | ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-08-13 | — | — | WO | disclosed |