⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23832183 | 0.80 | — | — | |
| SCHEMBL5947574 | 0.78 | — | — | |
| SCHEMBL7680587 | 0.78 | — | — | |
| SCHEMBL11065667 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL6553028 | 0.64 | ADH1A (0.33) | — | |
| SCHEMBL23426202 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL3622971 | 0.62 | — | — | |
| SCHEMBL2498619 | 0.62 | — | — | |
| SCHEMBL9063479 | 0.62 | ADH1A (0.40) | — | |
| SCHEMBL1684040 | 0.62 | ADH1A (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2447775-B1 | Resist underlayer film composition and patterning process using the same | SHINETSU CHEMICAL CO (JP) | 2013-05-29 | — | — | EP | disclosed |