⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23489697 | 0.84 | TDP1 (0.33) | — | |
| SCHEMBL23489404 | 0.80 | TDP1 (0.31) | — | |
| SCHEMBL23489455 | 0.78 | TDP1 (0.30) | — | |
| SCHEMBL23489580 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL25803015 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL25803009 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL25803012 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL23489462 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL23489454 | 0.76 | TDP1 (0.31) | — | |
| SCHEMBL23489686 | 0.76 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021111913-A1 | RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, POLYMER, AND COMPOUND | JSR株式会社 | 2021-06-10 | — | — | WO | disclosed |