⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25514964 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL19601031 | 0.72 | CYP17A1 (0.37) | — | |
| SCHEMBL27280134 | 0.72 | MEN1 (0.30) | — | |
| SCHEMBL25514965 | 0.71 | NPC1 (0.33) | — | |
| SCHEMBL17548721 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL19929356 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL26063617 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL23817355 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL17550504 | 0.66 | MEN1 (0.30) | — | |
| SCHEMBL17548714 | 0.66 | ALDH1A1 (0.41) | — |
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-20230161243-A1 | SALT, ACID GENERATOR, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2023-05-25 | — | — | US | disclosed |