⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13666049 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL14476710 | 0.79 | — | — | |
| SCHEMBL18657303 | 0.79 | HSD17B10 (0.32) | — | |
| SCHEMBL13479865 | 0.76 | — | — | |
| SCHEMBL18570662 | 0.74 | — | — | |
| SCHEMBL9970997 | 0.74 | — | — | |
| SCHEMBL10284488 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL15842405 | 0.71 | — | — | |
| SCHEMBL14724881 | 0.71 | — | — | |
| SCHEMBL14145209 | 0.70 | — | — |
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-2562167-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-1477472-B1 | SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF | ASAHI KASEI PHARMA CORP (JP) | 2009-01-14 | — | — | EP | disclosed |