⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2462100 | 0.79 | — | — | |
| SCHEMBL11223201 | 0.76 | TDP1 (0.60) | — | |
| SCHEMBL8373947 | 0.73 | — | — | |
| SCHEMBL7193560 | 0.71 | — | — | |
| SCHEMBL4923224 | 0.71 | — | — | |
| SCHEMBL10827672 | 0.71 | CA12 (0.73) | — | |
| SCHEMBL1754769 | 0.71 | TDP1 (0.53) | — | |
| SCHEMBL2454238 | 0.71 | — | — | |
| SCHEMBL14134260 | 0.69 | CHRM2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL16713411 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3699176-A2 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2020-08-26 | — | — | EP | disclosed |
| EP-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |