⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8075281 | 0.81 | MAPT (0.30) | — | |
| SCHEMBL11746625 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL11745146 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL1491231 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL12757792 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL8079656 | 0.77 | MAPT (0.30) | — | |
| SCHEMBL8079654 | 0.77 | MAPT (0.30) | — | |
| SCHEMBL2887831 | 0.76 | — | — | |
| SCHEMBL2891989 | 0.76 | — | — | |
| SCHEMBL2887828 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6093345-A | PYRIMIDINE COMPOUNDS, ELECTROOPTICS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2000-07-25 | — | — | US | disclosed |