⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22019423 | 0.67 | — | — | |
| SCHEMBL13831260 | 0.64 | LMNA (0.43) | — | |
| SCHEMBL22019347 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL13831257 | 0.62 | KMT2A (0.60) | — | |
| SCHEMBL14475948 | 0.59 | ESR2 (0.54) | — | |
| SCHEMBL16896271 | 0.59 | LMNA (0.40) | — | |
| SCHEMBL15986450 | 0.59 | ALDH1A1 (0.51) | — | |
| SCHEMBL6410220 | 0.59 | MAPK14 (0.55) | — | |
| SCHEMBL13048289 | 0.59 | TDP1 (0.57) | — | |
| SCHEMBL11888593 | 0.57 | SMN1; SMN2 (0.61) | — |
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 |