⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17098532 | 0.93 | DGAT1 (0.37) | — | |
| SCHEMBL17098535 | 0.93 | DGAT1 (0.37) | — | |
| SCHEMBL17048995 | 0.87 | — | — | |
| SCHEMBL17048993 | 0.87 | — | — | |
| SCHEMBL17110307 | 0.86 | KLKB1 (0.31) | — | |
| SCHEMBL17098216 | 0.85 | DGAT1 (0.36) | — | |
| SCHEMBL17098218 | 0.85 | DGAT1 (0.36) | — | |
| SCHEMBL17097533 | 0.80 | DGAT1 (0.38) | — | |
| SCHEMBL17097530 | 0.80 | DGAT1 (0.38) | — | |
| SCHEMBL17048962 | 0.79 | ALDH1A1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3110810-A1 | PYRAZOLE AMIDE DERIVATIVE | Teijin Pharma Limited (JP) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015129926-A1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LIMITED (JP) | 2015-09-03 | — | — | WO | disclosed |