⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16716818 | 0.94 | ALDH1A1 (0.38) | — | |
| SCHEMBL16716806 | 0.88 | ALDH1A1 (0.42) | — | |
| SCHEMBL16716807 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL16729083 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL16729079 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL16729084 | 0.79 | PRKCA (0.33) | — | |
| SCHEMBL16716812 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL16716805 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL16716817 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL9114541 | 0.68 | CYP1A2 (0.37) | — |
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-2015071292-A1 | METHOD FOR PRODUCING CHIRAL COMPOUNDS | Bergische Universität Wuppertal (DE) | 2015-05-21 | — | — | WO | disclosed |