⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39155 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL11125189 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL11125182 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL39769 | 0.71 | PTGER4 (0.34) | — | |
| SCHEMBL6050496 | 0.71 | PTGER4 (0.31) | — | |
| SCHEMBL5889389 | 0.68 | PTGER4 (0.32) | — | |
| SCHEMBL6275547 | 0.68 | PTGER4 (0.32) | — | |
| SCHEMBL6732545 | 0.67 | — | — | |
| SCHEMBL23901147 | 0.65 | MGLL (0.41) | — | |
| SCHEMBL21648859 | 0.65 | MGLL (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 |
|---|---|---|---|---|---|---|---|
| EP-2700636-B1 | PROCESS FOR PREPARING EPISULFIDE COMPOUNDS | ASAHI CHEMICAL IND (JP) | 2017-08-02 | — | — | EP | disclosed |