⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56858 | 0.85 | — | — | |
| SCHEMBL20545439 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL28119956 | 0.82 | — | — | |
| SCHEMBL29128735 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1464815 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1464814 | 0.82 | CYP2D6 (0.33) | — | |
| Hydroxyamine SCHEMBL2673839 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL6126315 | 0.78 | — | — | |
| SCHEMBL21780346 | 0.74 | — | — | |
| Perchlorate SCHEMBL2940934 | 0.71 | MEN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6689919-B1 | SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2004-02-10 | — | — | US | disclosed |