⚠ 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 | — | — | |
| SCHEMBL9119031 | 0.80 | — | — | |
| SCHEMBL8729837 | 0.73 | HCRTR1 (0.35) | — | |
| SCHEMBL8100359 | 0.73 | HCRTR1 (0.36) | — | |
| SCHEMBL5162176 | 0.68 | CRACR2A (0.37) | — | |
| SCHEMBL9116747 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL9240552 | 0.67 | FFAR4 (0.40) | — | |
| SCHEMBL9235105 | 0.66 | — | — | |
| SCHEMBL9116453 | 0.65 | CYP11B1 (0.42) | — | |
| SCHEMBL9240622 | 0.65 | — | — |
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 |