⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2917305 | 0.82 | — | — | |
| SCHEMBL2910897 | 0.74 | NOS3 (0.32) | — | |
| SCHEMBL2920285 | 0.74 | NOS3 (0.32) | — | |
| SCHEMBL2916956 | 0.74 | NOS3 (0.32) | — | |
| SCHEMBL2918194 | 0.73 | — | — | |
| SCHEMBL9432286 | 0.72 | NOS3 (0.33) | — | |
| SCHEMBL2915769 | 0.69 | NOS3 (0.33) | — | |
| SCHEMBL2918299 | 0.68 | — | — | |
| SCHEMBL2910892 | 0.68 | — | — | |
| SCHEMBL2910056 | 0.68 | NOS3 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1591443-B1 | PYRAZOLE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| 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 |
| US-20060189591-A1 | Five-membered heterocyclic derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-08-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1621537-A1 | FIVE-MEMBERED HETEROCYCLIC DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-02-01 | — | — | EP | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | disclosed |