⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1636870 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL7468203 | 0.70 | OPRK1 (0.30) | — | |
| SCHEMBL6474366 | 0.70 | — | — | |
| SCHEMBL10883336 | 0.69 | TP53 (0.31) | — | |
| SCHEMBL4613066 | 0.67 | — | — | |
| SCHEMBL27692561 | 0.66 | NOS3 (0.35) | — | |
| SCHEMBL1818185 | 0.65 | — | — | |
| SCHEMBL18896 | 0.64 | — | — | |
| SCHEMBL1813317 | 0.63 | TYR (0.36) | — | |
| SCHEMBL7464257 | 0.63 | HTR2A (0.33) | — |
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-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 |