⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15344584 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL14916757 | 0.84 | — | — | |
| SCHEMBL14916979 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL14916520 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL14916721 | 0.82 | CNR1 (0.30) | — | |
| SCHEMBL14916432 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL14916529 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL14916695 | 0.80 | CNR1 (0.35) | — | |
| SCHEMBL15344569 | 0.80 | RORC (0.30) | — | |
| SCHEMBL14916450 | 0.80 | CNR1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809383-B2 | Pyrazole compound | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2014-08-19 | — | — | US | disclosed |
| US-8569353-B2 | Pyrazole compound | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-10-29 | — | — | US | disclosed |
| US-20130116296-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2013-05-09 | — | — | US | disclosed |