⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24068236 | 0.87 | CYP17A1 (0.30) | — | |
| SCHEMBL1704343 | 0.87 | CYP17A1 (0.30) | — | |
| SCHEMBL25468285 | 0.85 | — | — | |
| SCHEMBL19932824 | 0.84 | CYP17A1 (0.30) | — | |
| SCHEMBL1704433 | 0.81 | — | — | |
| SCHEMBL14654830 | 0.79 | CYP17A1 (0.31) | — | |
| SCHEMBL12962321 | 0.78 | CYP17A1 (0.30) | — | |
| SCHEMBL21392229 | 0.78 | CYP19A1 (0.34) | — | |
| SCHEMBL19819926 | 0.77 | CYP17A1 (0.30) | — | |
| SCHEMBL686582 | 0.77 | CYP19A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20220146931-A1 | SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2022-05-12 | — | — | US | disclosed |