⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15508287 | 1.00 | — | — | |
| SCHEMBL12024726 | 0.78 | — | — | |
| SCHEMBL17430812 | 0.78 | — | — | |
| SCHEMBL17029324 | 0.72 | GRIK1 (0.33) | — | |
| SCHEMBL27497350 | 0.72 | — | — | |
| SCHEMBL17383333 | 0.72 | — | — | |
| SCHEMBL18699659 | 0.71 | — | — | |
| SCHEMBL640643 | 0.71 | — | — | |
| SCHEMBL11002419 | 0.69 | — | — | |
| SCHEMBL11002427 | 0.69 | — | — |
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-2014152115-A1 | N-,C-DISUBSTITUTED AZOLES FOR CONTROLLING NEMATODE PESTS | MONSANTO TECHNOLOGY LLC (US) | 2014-09-25 | — | — | WO | disclosed |