⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29248096 | 0.73 | ADRA1A (0.36) | — | |
| SCHEMBL28866941 | 0.69 | — | — | |
| SCHEMBL13755325 | 0.69 | — | — | |
| SCHEMBL19005734 | 0.67 | CHRNB4 (0.35) | — | |
| SCHEMBL13755326 | 0.63 | ADRA1A (0.36) | — | |
| SCHEMBL26780072 | 0.62 | ADRA1A (0.35) | — | |
| SCHEMBL19005651 | 0.62 | SIGMAR1 (0.36) | — | |
| SCHEMBL19005732 | 0.60 | CHRNB2 (0.33) | — | |
| SCHEMBL18007695 | 0.60 | ADRA1A (0.33) | — | |
| SCHEMBL19005658 | 0.59 | ADRA1A (0.33) | — |
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-1930144-A | 3-'4-heterocyclyl -1,2,3,-triazol-1-yl!-n-aryl-benzamides as inhibitors of the cytokines production for the treatment of chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMA (US) | 2007-03-14 | — | — | CN | disclosed |