⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15542155 | 1.00 | — | — | |
| SCHEMBL14211661 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15542239 | 0.97 | SIGMAR1 (0.30) | — | |
| SCHEMBL28594900 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL21597179 | 0.80 | — | — | |
| SCHEMBL2484460 | 0.78 | EPHX1 (0.36) | — | |
| SCHEMBL727317 | 0.78 | EPHX1 (0.36) | — | |
| SCHEMBL18428581 | 0.78 | EPHX1 (0.36) | — | |
| SCHEMBL277533 | 0.78 | EPHX1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL25267551 | 0.76 | KDM4E (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562175-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |