⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10063291 | 1.00 | — | — | |
| SCHEMBL178553 | 1.00 | — | — | |
| SCHEMBL6055726 | 0.82 | KMT2A (0.39) | — | |
| SCHEMBL10268906 | 0.78 | — | — | |
| SCHEMBL1658305 | 0.74 | — | — | |
| SCHEMBL18517325 | 0.74 | BACE1 (0.32) | — | |
| SCHEMBL31545103 | 0.72 | — | — | |
| SCHEMBL35483 | 0.72 | — | — | |
| SCHEMBL855769 | 0.72 | — | — | |
| SCHEMBL6574049 | 0.71 | LMNA (0.39) | — |
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-2016191836-A1 | METHOD FOR PREPARING INGENOL-3-DODECANOATE, METHOD FOR PREPARING 3-ETHYNYL-3-HYDROXY-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPTANE-2-CARBALDEHYDE, AND METHOD FOR PREPARING 2,2-DIMETHYL-4-ETHYNYL-5-TRIPHENYLPHOSPHORUS ANYLIDENE-1,3-DIOXANE | AMAZÔNIA FITOMEDICAMENTOS LTDA. (BR) | 2016-12-08 | — | — | WO | disclosed |