⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17099921 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL30957 | 0.73 | — | — | |
| SCHEMBL550353 | 0.71 | — | — | |
| SCHEMBL458299 | 0.71 | — | — | |
| SCHEMBL12151092 | 0.71 | — | — | |
| SCHEMBL360323 | 0.71 | — | — | |
| SCHEMBL22577271 | 0.71 | — | — | |
| SCHEMBL1314375 | 0.70 | KCNJ1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL640861 | 0.70 | — | — | |
| Bromide SCHEMBL640020 | 0.70 | — | — |
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-1984350-A1 | PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS | Novartis AG (CH) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007084786-A1 | PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS | NOVARTIS AG (CH) | 2007-07-26 | — | — | WO | disclosed |