⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7585956 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL12816765 | 0.70 | — | — | |
| SCHEMBL162868 | 0.67 | — | — | |
| SCHEMBL2257262 | 0.65 | CYP2A6 (0.34) | — | |
| SCHEMBL1100119 | 0.65 | CYP3A4 (0.34) | — | |
| SCHEMBL8036355 | 0.65 | — | — | |
| SCHEMBL8660579 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL11633965 | 0.63 | — | — | |
| SCHEMBL8659969 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL1098930 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | claimed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | claimed |
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | disclosed |