⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12943153 | 0.96 | CYP19A1 (0.31) | — | |
| SCHEMBL18094442 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL18094441 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL18103300 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL18103306 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL14952751 | 0.75 | CYP19A1 (0.34) | — | |
| SCHEMBL787013 | 0.75 | GSR (0.34) | — | |
| SCHEMBL18587049 | 0.75 | GSR (0.34) | — | |
| SCHEMBL789501 | 0.75 | GSR (0.34) | — | |
| SCHEMBL19749730 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9809576-B1 | Synthetic route to anti-viral agents | ABBVIE INC. (US) | 2017-11-07 | — | — | US | disclosed |