⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20051293 | 0.79 | CA2 (0.44) | — | |
| SCHEMBL17560609 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL23465743 | 0.70 | HDAC1 (0.35) | — | |
| SCHEMBL20077013 | 0.70 | FADS1 (0.36) | — | |
| SCHEMBL20077025 | 0.67 | TMPRSS4 (0.35) | — | |
| SCHEMBL8224718 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL5506948 | 0.66 | HTR6 (0.36) | — | |
| SCHEMBL1197714 | 0.66 | MEN1 (0.60) | — | |
| SCHEMBL15680119 | 0.66 | KMT2A (0.47) | — | |
| SCHEMBL20578170 | 0.64 | PTGS1 (0.74) | — |
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-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |