⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22812516 | 0.87 | — | — | |
| SCHEMBL20208972 | 0.86 | ALOX5 (0.33) | — | |
| SCHEMBL22812600 | 0.82 | KDM4E (0.40) | — | |
| SCHEMBL20208977 | 0.81 | CHEK2 (0.30) | — | |
| SCHEMBL22812593 | 0.81 | — | — | |
| SCHEMBL22812481 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL20208797 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL20208736 | 0.79 | ALOX5 (0.30) | — | |
| SCHEMBL20208711 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL20208709 | 0.78 | ALDH1A1 (0.33) | — |
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-2018095839-A1 | BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-05-31 | — | — | WO | disclosed |