⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3608298 | 1.00 | — | — | |
| SCHEMBL3610914 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL3610906 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL3605018 | 0.82 | PDE10A (0.33) | — | |
| SCHEMBL3610875 | 0.80 | PDE10A (0.31) | — | |
| SCHEMBL3612535 | 0.80 | — | — | |
| SCHEMBL3613260 | 0.77 | PDE10A (0.32) | — | |
| SCHEMBL3595561 | 0.71 | KDM4E (0.38) | — | |
| SCHEMBL3608317 | 0.69 | NMT1 (0.33) | — | |
| SCHEMBL3612380 | 0.69 | PTPN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100016396-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128138-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |