⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3613082 | 0.92 | — | — | |
| SCHEMBL3599883 | 0.88 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL3607460 | 0.85 | PTGER4 (0.32) | — | |
| SCHEMBL3607161 | 0.83 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL3608399 | 0.82 | PTGER4 (0.30) | — | |
| SCHEMBL3599121 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL3611386 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL3609174 | 0.81 | FPR2 (0.31) | — | |
| SCHEMBL3616668 | 0.80 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL3610894 | 0.79 | RAB9A (0.30) | — |
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 |