⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5808522 | 0.77 | CYP3A4 (0.30) | — | |
| SCHEMBL17471395 | 0.74 | — | — | |
| SCHEMBL4344583 | 0.67 | — | — | |
| SCHEMBL23817279 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL239749 | 0.64 | — | — | |
| SCHEMBL10570548 | 0.63 | — | — | |
| SCHEMBL1072666 | 0.62 | CYP3A4 (0.33) | — | |
| SCHEMBL9111364 | 0.62 | — | — | |
| SCHEMBL21470354 | 0.62 | CYP3A4 (0.32) | — | |
| SCHEMBL14226506 | 0.62 | CYP3A4 (0.32) | — |
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-2021215163-A1 | RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING RESIST PATTERN | JSR株式会社 (JP) | 2021-10-28 | — | — | WO | disclosed |