⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL557254 | 0.63 | — | — | |
| SCHEMBL4499348 | 0.63 | — | — | |
| SCHEMBL3836708 | 0.63 | — | — | |
| SCHEMBL730978 | 0.63 | — | — | |
| SCHEMBL308102 | 0.63 | — | — | |
| SCHEMBL1234972 | 0.63 | — | — | |
| SCHEMBL1207605 | 0.60 | — | — | |
| SCHEMBL27677364 | 0.60 | — | — | |
| SCHEMBL9372232 | 0.59 | CHRM5 (0.41) | — | |
| SCHEMBL8404472 | 0.59 | — | — |
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-1725544-B1 | 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) | 2009-05-27 | — | — | EP | disclosed |