⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10532084 | 1.00 | — | — | |
| SCHEMBL10532101 | 1.00 | — | — | |
| SCHEMBL15603789 | 0.89 | PRKCA (0.51) | — | |
| SCHEMBL18193440 | 0.89 | PRKCA (0.51) | — | |
| SCHEMBL6859191 | 0.89 | PRKCA (0.51) | — | |
| SCHEMBL9084549 | 0.83 | PRKCA (0.49) | — | |
| SCHEMBL12321141 | 0.79 | PRKCA (0.40) | — | |
| SCHEMBL12198629 | 0.79 | PRKCA (0.40) | — | |
| SCHEMBL10532089 | 0.79 | PRKCA (0.54) | — | |
| SCHEMBL6434455 | 0.79 | PRKCA (0.54) | — |
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-0078641-B1 | IMPROVEMENTS IN OR RELATING TO PHEROMONES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1986-02-26 | — | — | EP | disclosed |