⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329137 | 0.85 | — | — | |
| SCHEMBL1413 | 0.80 | — | — | |
| SCHEMBL7100899 | 0.80 | — | — | |
| SCHEMBL10395477 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL25337663 | 0.78 | — | — | |
| SCHEMBL10702137 | 0.78 | — | — | |
| SCHEMBL152163 | 0.74 | LTA4H (0.32) | — | |
| SCHEMBL17389370 | 0.73 | — | — | |
| SCHEMBL28832764 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL25263163 | 0.73 | KDM4E (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1638955-A2 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2005003099-A2 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-01-13 | — | — | WO | disclosed |