⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28274338 | 0.74 | CYP3A4 (0.34) | — | |
| SCHEMBL31181343 | 0.71 | — | — | |
| SCHEMBL28176113 | 0.71 | — | — | |
| SCHEMBL8438478 | 0.71 | — | — | |
| SCHEMBL27744814 | 0.70 | — | — | |
| SCHEMBL29389386 | 0.69 | — | — | |
| SCHEMBL38654294 | 0.68 | — | — | |
| SCHEMBL381123 | 0.68 | TDP1 (0.31) | — | |
| SCHEMBL11749331 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL11119288 | 0.67 | — | — |
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-0418175-B1 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE (GB) | 1996-07-17 | — | — | EP | disclosed |
| EP-0418175-A2 | Isoxazoles herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1991-03-20 | — | — | EP | disclosed |