⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3612642 | 0.84 | PDE10A (0.31) | — | |
| SCHEMBL3606350 | 0.83 | SCN2B (0.30) | — | |
| SCHEMBL3611068 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL3609157 | 0.81 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL3610875 | 0.80 | PDE10A (0.31) | — | |
| SCHEMBL3600146 | 0.78 | EPHA2 (0.38) | — | |
| SCHEMBL3608399 | 0.78 | PTGER4 (0.30) | — | |
| SCHEMBL3605013 | 0.74 | SHMT2 (0.35) | — | |
| SCHEMBL3616664 | 0.73 | SHMT2 (0.33) | — | |
| SCHEMBL3604269 | 0.73 | ALOX5 (0.39) | — |
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 |