⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6661072 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL238451 | 0.83 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL13859413 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL5495057 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL6656797 | 0.75 | — | — | |
| SCHEMBL4908355 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL4915897 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL19287116 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL5035490 | 0.73 | CYP2C19 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6658209 | 0.71 | HRH4 (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-1160267-B1 | CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE | JAPAN SCIENCE & TECH CORP (JP) | 2004-08-04 | — | — | EP | disclosed |