⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8725815 | 0.83 | HPGD (0.30) | — | |
| SCHEMBL8609547 | 0.81 | HPGD (0.30) | — | |
| SCHEMBL8609420 | 0.80 | USP2 (0.31) | — | |
| SCHEMBL8604618 | 0.80 | EGFR (0.32) | — | |
| SCHEMBL9239343 | 0.79 | HPGD (0.32) | — | |
| SCHEMBL8726634 | 0.77 | CTSK (0.33) | — | |
| SCHEMBL8607103 | 0.77 | CTSK (0.35) | — | |
| SCHEMBL14155670 | 0.76 | NPC1 (0.38) | — | |
| SCHEMBL8726557 | 0.75 | — | — | |
| SCHEMBL8724264 | 0.75 | MEN1 (0.32) | — |
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-5804532-A | REACTING A BENZOYL ISOXAZOLE WITH A BASE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1998-09-08 | — | — | US | disclosed |