⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL685813 | 0.89 | — | — | |
| SCHEMBL12039261 | 0.84 | — | — | |
| SCHEMBL12354822 | 0.80 | — | — | |
| SCHEMBL2605945 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL12346454 | 0.77 | NR1H2 (0.34) | — | |
| SCHEMBL12347352 | 0.74 | HMGCR (0.39) | — | |
| SCHEMBL12058544 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL12705104 | 0.73 | — | — | |
| SCHEMBL12704729 | 0.72 | — | — | |
| SCHEMBL12346455 | 0.72 | NR1H2 (0.31) | — |
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-20110200936-A1 | SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-08-18 | — | — | US | disclosed |