⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10070303 | 0.74 | — | — | |
| SCHEMBL16434807 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL18033547 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL12724275 | 0.67 | CDK1 (0.47) | — | |
| SCHEMBL10561851 | 0.65 | — | — | |
| SCHEMBL11296536 | 0.65 | — | — | |
| SCHEMBL10070297 | 0.65 | — | — | |
| SCHEMBL9965999 | 0.65 | — | — | |
| SCHEMBL16544559 | 0.64 | CDK1 (0.34) | — | |
| SCHEMBL14084793 | 0.64 | ADORA2B (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103153968-A | Triazole derivative and pharmaceutical composition containing same and having analgesic effect | SHIONOGI & CO | 2013-06-12 | — | — | CN | disclosed |