⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1319 | 0.87 | — | — | |
| SCHEMBL15658212 | 0.87 | ALDH1A1 (1.00) | — | |
| Potassium Iodide SCHEMBL28493070 | 0.82 | — | — | |
| SCHEMBL7766675 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL8715381 | 0.80 | — | — | |
| Water SCHEMBL8878056 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL9407011 | 0.80 | ALDH1A1 (0.86) | — | |
| Hydrochloric Acid SCHEMBL7512029 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL8413635 | 0.80 | — | — | |
| SCHEMBL9419675 | 0.80 | — | — |
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-1874786-A2 | MULTIPLY SUBSTITUTED FERROCENES | Solvias AG (CH) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006114438-A2 | MULTIPLY SUBSTITUTED FERROCENES | SOLVIAS AG (CH) | 2006-11-02 | — | — | WO | disclosed |