⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20208799 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL22145878 | 0.86 | NPY5R (0.31) | — | |
| SCHEMBL20209210 | 0.83 | P2RX4 (0.31) | — | |
| SCHEMBL20208800 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL20209209 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL19317882 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL22145816 | 0.81 | NPY5R (0.31) | — | |
| SCHEMBL20208936 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL20208740 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL20208958 | 0.80 | ALDH1A1 (0.38) | — |
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-3544986-B1 | BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-12-23 | — | — | EP | disclosed |