⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16083123 | 1.00 | — | — | |
| SCHEMBL25091520 | 1.00 | — | — | |
| SCHEMBL10188263 | 0.86 | — | — | |
| SCHEMBL15108652 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL15103051 | 0.84 | NCF1 (0.39) | — | |
| SCHEMBL9001419 | 0.82 | KAT2B (0.40) | — | |
| Hydrochloric Acid SCHEMBL25422605 | 0.80 | KAT2B (0.39) | — | |
| SCHEMBL1914090 | 0.79 | — | — | |
| SCHEMBL7219700 | 0.79 | — | — | |
| SCHEMBL1914093 | 0.79 | — | — |
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-2556066-B1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-10-19 | — | — | EP | disclosed |