⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2830474 | 0.85 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL7796177 | 0.79 | — | — | |
| SCHEMBL10071421 | 0.78 | — | — | |
| SCHEMBL10071432 | 0.76 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9841182 | 0.74 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL2836560 | 0.74 | — | — | |
| SCHEMBL2623197 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL10071435 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL10071454 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL10000253 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030116273-A1 | Method of bonding an optical part | NIPPON SHEET GLASS CO., LTD. (JP) | 2003-06-26 | — | — | US | disclosed |