⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11023540 | 0.85 | ALOX5 (0.53) | — | |
| SCHEMBL9374822 | 0.79 | ALOX5 (0.46) | — | |
| SCHEMBL5320940 | 0.79 | — | — | |
| SCHEMBL5613863 | 0.77 | — | — | |
| SCHEMBL27615249 | 0.77 | — | — | |
| SCHEMBL16226096 | 0.77 | CA1 (0.45) | — | |
| SCHEMBL11879501 | 0.76 | ALOX5 (0.42) | — | |
| SCHEMBL19244088 | 0.75 | CA1 (0.43) | — | |
| SCHEMBL11878098 | 0.74 | ALOX5 (0.40) | — | |
| SCHEMBL11883592 | 0.74 | ALOX5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020040485-A1 | STABILIZER FOR EPISULFIDE-BASED OPTICAL MATERIAL HAVING HIGH REFRACTIVE INDEX, COMPOSITION FOR OPTICAL MATERIAL USING SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL | 주식회사 케이오씨솔루션 | 2020-02-27 | — | — | WO | disclosed |
| US-3988377-A | DETERGENTS, ANTISEPTICS | LEVER BROTHERS COMPANY (US) | 1976-10-26 | — | — | US | disclosed |