⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21202387 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL19346305 | 0.81 | HTR4 (0.30) | — | |
| SCHEMBL24437696 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL17066252 | 0.76 | NOS3 (0.30) | — | |
| SCHEMBL26445324 | 0.74 | — | — | |
| SCHEMBL26445323 | 0.74 | — | — | |
| SCHEMBL14210392 | 0.74 | HTR4 (0.32) | — | |
| SCHEMBL26199803 | 0.74 | — | — | |
| SCHEMBL25125341 | 0.74 | HTR4 (0.32) | — | |
| SCHEMBL25956066 | 0.72 | — | — |
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-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |