⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22018793 | 0.73 | TP53 (0.31) | — | |
| SCHEMBL22019409 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL22018516 | 0.69 | CDC25A (0.36) | — | |
| SCHEMBL13831508 | 0.69 | HPGD (0.34) | — | |
| SCHEMBL22018929 | 0.67 | — | — | |
| SCHEMBL13831500 | 0.67 | TP53 (0.55) | — | |
| SCHEMBL22018979 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL22019347 | 0.61 | ALDH1A1 (0.46) | — | |
| SCHEMBL15983357 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL22018977 | 0.59 | LMNA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3653054-A1 | COMPOSITION FOR INHIBITION OF INSECT SENSING | Vanderbilt University (US) | 2020-05-20 | — | — | EP | disclosed |