⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10803230 | 0.94 | PTGS2 (0.52) | — | |
| SCHEMBL10805163 | 0.83 | — | — | |
| SCHEMBL10800064 | 0.81 | KCNK3 (0.66) | — | |
| SCHEMBL10819114 | 0.79 | — | — | |
| SCHEMBL10799748 | 0.78 | PTGS1 (0.48) | — | |
| SCHEMBL10804832 | 0.78 | KCNK3 (0.61) | — | |
| SCHEMBL10803377 | 0.77 | — | — | |
| SCHEMBL10800470 | 0.75 | — | — | |
| SCHEMBL10800970 | 0.75 | KCNK3 (0.67) | — | |
| SCHEMBL10805223 | 0.74 | KCNK3 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0086422-B1 | PHARMACOLOGICALLY ACTIVE PYRAZOLO(4,3-C)PYRIDINES | GRUPPO LEPETIT S.p.A. (IT) | 1987-09-30 | — | — | EP | disclosed |