⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9241961 | 1.00 | — | — | |
| SCHEMBL8310664 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL8307301 | 0.75 | CYP11B1 (0.31) | — | |
| SCHEMBL8311196 | 0.72 | CYP11B1 (0.31) | — | |
| SCHEMBL8525067 | 0.72 | HCRTR1 (0.31) | — | |
| SCHEMBL8310035 | 0.71 | — | — | |
| SCHEMBL8310610 | 0.71 | — | — | |
| SCHEMBL8307809 | 0.70 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL6181756 | 0.70 | AOC3 (0.34) | — | |
| SCHEMBL6181759 | 0.70 | AOC3 (0.34) | — |
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-0918056-A1 | Herbicides | RHONE-POULENC AGRICULTURE LTD. (GB) | 1999-05-26 | — | — | EP | disclosed |
| WO-1995025105-A1 | ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD (GB) | 1995-09-21 | — | — | WO | disclosed |