⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2602833 | 0.79 | MAPK1 (0.38) | — | |
| SCHEMBL5525941 | 0.76 | — | — | |
| SCHEMBL12854566 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL12972067 | 0.74 | FKBP1A (0.32) | — | |
| SCHEMBL12357074 | 0.73 | FKBP1A (0.32) | — | |
| SCHEMBL12854543 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL5523483 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL2602981 | 0.71 | POLB (0.39) | — | |
| SCHEMBL5521718 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL12369263 | 0.70 | ALDH1A1 (0.30) | — |
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-8173353-B2 | Sulfonium compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-08 | — | — | US | disclosed |