⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575778 | 0.78 | — | — | |
| SCHEMBL7741893 | 0.78 | — | — | |
| SCHEMBL8744322 | 0.69 | — | — | |
| SCHEMBL8744351 | 0.67 | — | — | |
| SCHEMBL6588124 | 0.65 | — | — | |
| SCHEMBL1506714 | 0.63 | — | — | |
| SCHEMBL6717969 | 0.63 | — | — | |
| SCHEMBL4871353 | 0.63 | — | — | |
| SCHEMBL132224 | 0.62 | GPR84 (0.40) | — | |
| SCHEMBL9892486 | 0.61 | — | — |
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-2001019820-A1 | SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-22 | — | — | WO | disclosed |