⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12658467 | 0.79 | CCR2 (0.31) | — | |
| SCHEMBL30152453 | 0.61 | CCR2 (0.42) | — | |
| SCHEMBL15958833 | 0.59 | CCR2 (0.43) | — | |
| SCHEMBL7618478 | 0.59 | CCR2 (0.43) | — | |
| SCHEMBL15958834 | 0.59 | CCR2 (0.43) | — | |
| SCHEMBL12116735 | 0.59 | CCR2 (0.43) | — | |
| SCHEMBL12116414 | 0.59 | CCR2 (0.43) | — | |
| SCHEMBL11553248 | 0.57 | L3MBTL1 (0.40) | — | |
| SCHEMBL17138841 | 0.57 | L3MBTL1 (0.40) | — | |
| SCHEMBL13158339 | 0.57 | CCR2 (0.41) | — |
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-1912999-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-01-05 | — | — | EP | disclosed |