⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3396305 | 0.78 | — | — | |
| SCHEMBL3514462 | 0.76 | — | — | |
| SCHEMBL620794 | 0.60 | — | — | |
| SCHEMBL794478 | 0.55 | — | — | |
| SCHEMBL4932940 | 0.55 | — | — | |
| SCHEMBL5821772 | 0.55 | — | — | |
| Acetone SCHEMBL28884130 | 0.49 | — | — | |
| Acetone SCHEMBL8627759 | 0.49 | — | — | |
| SCHEMBL669554 | 0.48 | CA5A (0.67) | — | |
| SCHEMBL7269156 | 0.48 | SMN1; SMN2 (0.60) | — |
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-20070254881-A1 | Pyrazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-11-01 | — | — | US | disclosed |
| EP-1785418-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-05-16 | — | — | EP | disclosed |