⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9116403 | 0.81 | — | — | |
| SCHEMBL9119031 | 0.81 | — | — | |
| SCHEMBL8043245 | 0.76 | JAK2 (0.30) | — | |
| SCHEMBL8100212 | 0.74 | DPP4 (0.38) | — | |
| SCHEMBL8100138 | 0.74 | PIK3CD (0.38) | — | |
| SCHEMBL8729768 | 0.73 | BRD4 (0.41) | — | |
| SCHEMBL8109638 | 0.72 | PTGS2 (0.41) | — | |
| SCHEMBL8727417 | 0.72 | CHRNA7 (0.36) | — | |
| SCHEMBL8731661 | 0.70 | TP53 (0.42) | — | |
| SCHEMBL9116747 | 0.68 | MEN1 (0.42) | — |
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 |