⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9220693 | 0.84 | — | — | |
| SCHEMBL8948552 | 0.80 | PGR (0.35) | — | |
| SCHEMBL8948508 | 0.78 | PGR (0.34) | — | |
| SCHEMBL9219310 | 0.78 | PGR (0.32) | — | |
| SCHEMBL7952046 | 0.77 | — | — | |
| SCHEMBL8948489 | 0.77 | PTGES (0.34) | — | |
| SCHEMBL8948558 | 0.76 | BCAT1 (0.49) | — | |
| SCHEMBL6799361 | 0.75 | HCAR1 (0.39) | — | |
| SCHEMBL31442537 | 0.74 | GRM4 (0.42) | — | |
| SCHEMBL7944025 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5521147-A | HERBICIDES | FMC CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |
| WO-1995005079-A1 | 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS | FMC CORPORATION (US) | 1995-02-23 | — | — | WO | disclosed |