⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4286926 | 0.80 | TDP1 (0.37) | — | |
| SCHEMBL4281846 | 0.74 | DRD2 (0.33) | — | |
| SCHEMBL2846014 | 0.74 | BACE1 (0.37) | — | |
| SCHEMBL4282735 | 0.69 | PRKAB2 (0.31) | — | |
| SCHEMBL3301277 | 0.68 | BACE1 (0.39) | — | |
| SCHEMBL2911025 | 0.67 | MAPT (0.40) | — | |
| SCHEMBL884564 | 0.66 | SIGMAR1 (0.40) | — | |
| SCHEMBL4472550 | 0.65 | HCAR2 (0.33) | — | |
| SCHEMBL1338710 | 0.65 | AKR1C2 (0.42) | — | |
| SCHEMBL4921245 | 0.63 | TDP1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7419984-B2 | Pyrimidines and uses thereof | CELL THERAPEUTICS, INC. (US) | 2008-09-02 | — | — | US | claimed |
| US-20090099183-A1 | PYRIMIDINES AND USES THEREOF | CELL THERAPEUTICS, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| US-7419984-B2 | Pyrimidines and uses thereof | CELL THERAPEUTICS, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-20040204386-A1 | Pyrimidines and uses thereof | CELL THERAPEUTICS, INC. | 2004-10-14 | — | — | US | disclosed |