⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8759377 | 0.59 | — | — | |
| Azetidine SCHEMBL517869 | 0.54 | — | — | |
| SCHEMBL1654385 | 0.54 | — | — | |
| SCHEMBL23895059 | 0.43 | — | — | |
| Azetidine SCHEMBL12502 | 0.43 | — | — | |
| SCHEMBL1962877 | 0.35 | — | — | |
| SCHEMBL7709689 | 0.35 | — | — | |
| SCHEMBL9334502 | 0.35 | — | — | |
| SCHEMBL9156081 | 0.35 | — | — | |
| Water SCHEMBL21403933 | 0.35 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014133046-A1 | NOVEL PYRAZOLE DERIVATIVE | 持田製薬株式会社 (JP) | 2014-09-04 | — | — | WO | disclosed |