⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL916537 | 1.00 | — | — | |
| SCHEMBL915467 | 0.86 | — | — | |
| SCHEMBL17812977 | 0.79 | — | — | |
| SCHEMBL916110 | 0.77 | — | — | |
| SCHEMBL20194041 | 0.77 | — | — | |
| SCHEMBL17656132 | 0.77 | — | — | |
| SCHEMBL1681821 | 0.77 | — | — | |
| SCHEMBL915519 | 0.77 | — | — | |
| SCHEMBL24377910 | 0.77 | — | — | |
| SCHEMBL16114993 | 0.77 | — | — |
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-3002279-A1 | Method for the preparation of 3- (5-aminotriazolyl) sulfide derivatives | Bayer CropScience AG (DE) | 2016-04-06 | — | — | EP | disclosed |