⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3552292 | 0.78 | FAAH (0.31) | — | |
| SCHEMBL2837719 | 0.75 | KCNH2 (0.31) | — | |
| SCHEMBL2839929 | 0.73 | CTSS (0.32) | — | |
| SCHEMBL2833502 | 0.71 | CTSS (0.32) | — | |
| SCHEMBL2839916 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL3552294 | 0.71 | ADRB3 (0.47) | — | |
| SCHEMBL3552287 | 0.71 | ADRB3 (0.47) | — | |
| SCHEMBL13501950 | 0.71 | ADRB3 (0.47) | — | |
| SCHEMBL2835728 | 0.68 | ADRB3 (0.42) | — | |
| SCHEMBL2843221 | 0.68 | ADRB3 (0.46) | — |
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-1912981-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2010-01-20 | — | — | EP | disclosed |