⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3804136 | 0.78 | — | — | |
| SCHEMBL6126305 | 0.74 | — | — | |
| SCHEMBL11289113 | 0.70 | — | — | |
| SCHEMBL13750213 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7817837 | 0.66 | — | — | |
| SCHEMBL1636665 | 0.66 | — | — | |
| SCHEMBL14277012 | 0.66 | — | — | |
| SCHEMBL7072314 | 0.64 | CYP3A4 (0.50) | — | |
| SCHEMBL2608949 | 0.64 | ALPL (0.46) | — | |
| SCHEMBL9015547 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311853-B | Triazole derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2020-02-11 | — | — | CN | disclosed |
| US-10399996-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2019-09-03 | — | — | US | disclosed |