⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20905549 | 0.94 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL24264704 | 0.92 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL10194420 | 0.80 | CHRNA7 (0.39) | — | |
| SCHEMBL18526726 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10194414 | 0.78 | MC4R (0.39) | — | |
| SCHEMBL486195 | 0.77 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL18897006 | 0.76 | KCNA5 (0.41) | — | |
| SCHEMBL23547193 | 0.76 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL5779140 | 0.76 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL5746901 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220411429-A1 | CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS | BIOGEN MA INC. | 2022-12-29 | — | — | US | disclosed |