⚠ 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 SCHEMBL277413 | 0.87 | — | — | |
| Fluoride SCHEMBL8338744 | 0.82 | — | — | |
| Fluoride SCHEMBL874219 | 0.82 | — | — | |
| Fluoride SCHEMBL48188 | 0.82 | — | — | |
| Fluoride SCHEMBL8365554 | 0.82 | — | — | |
| SCHEMBL3447057 | 0.82 | — | — | |
| Fluoride SCHEMBL10938010 | 0.82 | — | — | |
| Fluoride SCHEMBL37257 | 0.82 | — | — | |
| Fluoride SCHEMBL3793005 | 0.82 | — | — | |
| Fluoride SCHEMBL874220 | 0.82 | — | — |
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-1945629-B1 | PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL | KRKA D D NOVO MESTO (SI) | 2012-02-01 | — | — | EP | disclosed |