⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994390 | 0.79 | — | — | |
| SCHEMBL6972203 | 0.72 | — | — | |
| SCHEMBL2976581 | 0.71 | — | — | |
| SCHEMBL7900305 | 0.69 | CTSL (0.37) | — | |
| SCHEMBL8434783 | 0.67 | — | — | |
| SCHEMBL12022837 | 0.65 | CYP3A4 (0.30) | — | |
| SCHEMBL2969320 | 0.64 | — | — | |
| SCHEMBL8437759 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL1704289 | 0.64 | — | — | |
| SCHEMBL1919150 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1272475-A1 | 2-PHENYL-2H-PYRIDAZINE-3-ONES | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001079182-A1 | 2-PHENYL-2H-PYRIDAZINE-3-ONES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | disclosed |