⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18112605 | 1.00 | — | — | |
| SCHEMBL18118844 | 0.92 | IDH1 (0.30) | — | |
| SCHEMBL18118839 | 0.83 | MLYCD (0.37) | — | |
| SCHEMBL18112615 | 0.82 | — | — | |
| SCHEMBL18112612 | 0.82 | — | — | |
| SCHEMBL18112614 | 0.82 | — | — | |
| SCHEMBL1935690 | 0.82 | — | — | |
| SCHEMBL1937442 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL1937444 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL18112623 | 0.78 | PTPN1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016155831-A1 | ISOXAZOLINE-STYRENE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-10-06 | — | — | WO | disclosed |