⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16320708 | 0.81 | PDE10A (0.43) | — | |
| SCHEMBL16320986 | 0.78 | PDE10A (0.42) | — | |
| SCHEMBL16320826 | 0.76 | — | — | |
| SCHEMBL16340755 | 0.67 | GPR119 (0.35) | — | |
| SCHEMBL1306189 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL1305914 | 0.66 | KDM4E (0.36) | — | |
| SCHEMBL17062871 | 0.65 | EPHX2 (0.41) | — | |
| SCHEMBL527479 | 0.65 | DPP4 (0.30) | — | |
| SCHEMBL1307534 | 0.64 | CCR5 (0.35) | — | |
| SCHEMBL1306995 | 0.64 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140378447-A1 | NOVEL PYRAZOLE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2014-12-25 | — | — | US | disclosed |