⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL101908 | 0.76 | — | — | |
| SCHEMBL1393609 | 0.73 | — | — | |
| SCHEMBL163551 | 0.73 | — | — | |
| SCHEMBL24739044 | 0.68 | NOTUM (0.40) | — | |
| SCHEMBL11257563 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL1847601 | 0.68 | DYRK1A (0.48) | — | |
| SCHEMBL30500481 | 0.66 | TYMP (0.38) | — | |
| SCHEMBL5254960 | 0.65 | KMT2A (0.34) | — | |
| SCHEMBL25429844 | 0.62 | — | — | |
| SCHEMBL24828275 | 0.60 | — | — |
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-2365970-B1 | PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS | GILEAD CONNECTICUT INC (US) | 2018-03-21 | — | — | EP | disclosed |