⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3938533 | 0.98 | — | — | |
| Trifluoroacetic Acid SCHEMBL3927963 | 0.90 | DPP4 (0.36) | — | |
| SCHEMBL893059 | 0.84 | CYP2C19 (0.31) | — | |
| SCHEMBL657834 | 0.84 | JAK2 (0.31) | — | |
| SCHEMBL19064376 | 0.79 | IKBKB (0.35) | — | |
| SCHEMBL23930527 | 0.78 | GABRA5 (0.32) | — | |
| SCHEMBL30436957 | 0.78 | ESR1 (0.30) | — | |
| SCHEMBL17883349 | 0.78 | POLB (0.38) | — | |
| SCHEMBL23989452 | 0.78 | GABRA5 (0.31) | — | |
| SCHEMBL6619443 | 0.77 | DRD2 (0.34) | — |
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-2044063-A1 | PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | Astra Zeneca AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008001070-A1 | PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-01-03 | — | — | WO | disclosed |