⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19457779 | 0.89 | — | — | |
| SCHEMBL18772325 | 0.82 | — | — | |
| SCHEMBL20280522 | 0.82 | CYP2C9 (0.31) | — | |
| SCHEMBL20215479 | 0.80 | — | — | |
| SCHEMBL20691779 | 0.79 | — | — | |
| SCHEMBL18479696 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL19246056 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL18457348 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL20691729 | 0.76 | — | — | |
| SCHEMBL20691774 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200283400-A1 | EPOXY COMPOUND, RESIST COMPOSITION, AND PATTERN FORMING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-09-10 | — | — | US | disclosed |
| US-9989847-B2 | Onium salt compound, resist composition, and pattern forming process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-06-05 | — | — | US | disclosed |