⚠ 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL5454038 | 0.87 | — | — | |
| SCHEMBL9818123 | 0.82 | — | — | |
| SCHEMBL1943136 | 0.74 | — | — | |
| SCHEMBL1905021 | 0.74 | — | — | |
| SCHEMBL900595 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL20481635 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL125218 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL16561296 | 0.72 | S100A4 (0.30) | — | |
| SCHEMBL22406221 | 0.71 | — | — | |
| SCHEMBL8729098 | 0.71 | — | — |
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 |