⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7749160 | 0.80 | PGR (0.32) | — | |
| SCHEMBL6848865 | 0.79 | PARP1 (0.35) | — | |
| SCHEMBL6848824 | 0.79 | PARP1 (0.35) | — | |
| SCHEMBL4067277 | 0.70 | NTRK1 (0.37) | — | |
| SCHEMBL8566222 | 0.70 | MEN1 (0.38) | — | |
| SCHEMBL8564686 | 0.69 | MEN1 (0.36) | — | |
| SCHEMBL7615238 | 0.69 | MEN1 (0.36) | — | |
| SCHEMBL7556544 | 0.69 | NR3C2 (0.46) | — | |
| SCHEMBL6911403 | 0.68 | SLC5A1 (0.33) | — | |
| SCHEMBL6843953 | 0.68 | — | — |
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 |