⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2223819 | 0.94 | CA1 (0.35) | — | |
| SCHEMBL2227270 | 0.88 | — | — | |
| SCHEMBL17322191 | 0.74 | CA1 (0.42) | — | |
| SCHEMBL636442 | 0.72 | — | — | |
| SCHEMBL426023 | 0.69 | — | — | |
| SCHEMBL13806350 | 0.69 | ACACB (0.32) | — | |
| SCHEMBL428006 | 0.69 | ADH1B (0.39) | — | |
| SCHEMBL3056680 | 0.67 | — | — | |
| SCHEMBL19103680 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL14616646 | 0.67 | CA1 (0.36) | — |
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-20080064682-A1 | Pyrazole Derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| EP-1762568-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-14 | — | — | EP | disclosed |