⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3528218 | 0.84 | MMP1 (0.34) | — | |
| SCHEMBL3811327 | 0.80 | GAA (0.33) | — | |
| SCHEMBL996970 | 0.76 | MCHR1 (0.33) | — | |
| SCHEMBL3814397 | 0.71 | GAA (0.31) | — | |
| SCHEMBL2839721 | 0.67 | JAK2 (0.33) | — | |
| SCHEMBL16242435 | 0.66 | EPHX2 (0.33) | — | |
| SCHEMBL3814044 | 0.64 | GAA (0.34) | — | |
| SCHEMBL3054091 | 0.62 | — | — | |
| SCHEMBL1683129 | 0.61 | GAA (0.36) | — | |
| SCHEMBL2837627 | 0.61 | ALDH1A1 (0.31) | — |
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-1919898-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-01-26 | — | — | EP | disclosed |