⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9117764 | 0.81 | — | — | |
| SCHEMBL9116403 | 0.80 | — | — | |
| SCHEMBL8041945 | 0.76 | AR (0.30) | — | |
| SCHEMBL8891259 | 0.75 | MAP2K1 (0.34) | — | |
| SCHEMBL8101250 | 0.74 | MELK (0.36) | — | |
| SCHEMBL8906973 | 0.72 | HPGD (0.36) | — | |
| SCHEMBL8100428 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL9117857 | 0.72 | L3MBTL1 (0.36) | — | |
| SCHEMBL8725745 | 0.72 | HCRTR1 (0.34) | — | |
| SCHEMBL9116591 | 0.72 | RAB9A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995025105-A1 | ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD (GB) | 1995-09-21 | — | — | WO | claimed |
| WO-1995025105-A1 | ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD (GB) | 1995-09-21 | — | — | WO | disclosed |