⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25751918 | 0.80 | — | — | |
| SCHEMBL23950340 | 0.75 | ALPL (0.53) | — | |
| SCHEMBL70577 | 0.74 | HCAR2 (0.59) | — | |
| SCHEMBL7878964 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11595364 | 0.73 | HCAR2 (0.57) | — | |
| SCHEMBL19987833 | 0.73 | HCAR2 (0.57) | — | |
| SCHEMBL15648169 | 0.73 | — | — | |
| SCHEMBL1269795 | 0.73 | — | — | |
| SCHEMBL28638090 | 0.73 | HCAR2 (0.57) | — | |
| SCHEMBL27464512 | 0.73 | ALPL (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056875-A1 | PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS | CGI PHARMACEUTICALS, INC. (US) | 2010-05-20 | — | — | WO | disclosed |