⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19889479 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL19889486 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL18105887 | 0.62 | ALDH1A1 (0.51) | — | |
| SCHEMBL21169057 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL18095287 | 0.62 | ALDH1A1 (0.51) | — | |
| SCHEMBL6127710 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL12460150 | 0.59 | LMNA (0.52) | — | |
| SCHEMBL19889528 | 0.59 | GAA (0.36) | — | |
| SCHEMBL18095239 | 0.58 | ALDH1A1 (0.47) | — | |
| SCHEMBL18105807 | 0.58 | ALDH1A1 (0.47) | — |
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-3274340-B1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL PHARMA INC (US) | 2019-07-17 | — | — | EP | disclosed |