⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5395069 | 1.00 | — | — | |
| SCHEMBL17404005 | 0.80 | EBP (0.30) | — | |
| SCHEMBL5365309 | 0.80 | — | — | |
| SCHEMBL5367072 | 0.80 | — | — | |
| SCHEMBL5365305 | 0.80 | — | — | |
| SCHEMBL25098697 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL17918952 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL2013037 | 0.77 | HRH2 (0.32) | — | |
| SCHEMBL736881 | 0.77 | HRH2 (0.32) | — | |
| SCHEMBL4706871 | 0.77 | HRH2 (0.32) | — |
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-1689702-B1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2013-01-30 | — | — | EP | disclosed |