⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14308138 | 0.90 | EPHX2 (0.44) | — | |
| SCHEMBL30233747 | 0.90 | EPHX2 (0.44) | — | |
| SCHEMBL18106086 | 0.82 | — | — | |
| SCHEMBL27501002 | 0.82 | — | — | |
| SCHEMBL775328 | 0.80 | CYP3A4 (0.42) | — | |
| SCHEMBL1713920 | 0.78 | — | — | |
| SCHEMBL9340003 | 0.76 | — | — | |
| SCHEMBL1713922 | 0.76 | — | — | |
| SCHEMBL9340008 | 0.76 | — | — | |
| SCHEMBL17817316 | 0.74 | CES2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109803956-A | Novel benzamide compounds, preparation method and acaricide | 杀虫剂(印度)有限公司 | 2019-05-24 | — | — | CN | disclosed |