⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60023 | 0.81 | — | — | |
| SCHEMBL28019239 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL3887139 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL3898185 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL27606287 | 0.79 | — | — | |
| SCHEMBL3894433 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL698362 | 0.76 | LMNA (0.40) | — | |
| SCHEMBL8667075 | 0.74 | — | — | |
| SCHEMBL16336224 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL3605019 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1356988-A | Phenoxy fluoropyrimidines | BAYER AG (DE) | 2002-07-03 | — | — | CN | claimed |
| CN-1356988-A | Phenoxy fluoropyrimidines | BAYER AG (DE) | 2002-07-03 | — | — | CN | disclosed |
| 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 |