⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL21847669 | 0.81 | GAA (0.34) | — | |
| SCHEMBL23394775 | 0.77 | — | — | |
| SCHEMBL29120378 | 0.75 | DRD4 (0.32) | — | |
| SCHEMBL25547569 | 0.73 | DRD4 (0.31) | — | |
| SCHEMBL90095 | 0.72 | — | — | |
| SCHEMBL20340969 | 0.70 | — | — | |
| SCHEMBL6886244 | 0.70 | — | — | |
| SCHEMBL18612464 | 0.70 | — | — | |
| SCHEMBL90802 | 0.70 | — | — | |
| SCHEMBL18612555 | 0.70 | — | — |
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 |