⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17852577 | 0.77 | MAPK1 (0.32) | — | |
| SCHEMBL17852573 | 0.77 | MAPK1 (0.32) | — | |
| SCHEMBL18611290 | 0.74 | MAPK1 (0.30) | — | |
| SCHEMBL16581492 | 0.69 | TRPA1 (0.42) | — | |
| SCHEMBL5077931 | 0.69 | MAPK1 (0.39) | — | |
| SCHEMBL5077933 | 0.69 | MAPK1 (0.39) | — | |
| SCHEMBL5077934 | 0.69 | MAPK1 (0.39) | — | |
| SCHEMBL14628363 | 0.66 | — | — | |
| SCHEMBL399747 | 0.66 | — | — | |
| SCHEMBL21135646 | 0.66 | TRPA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10646486-B2 | Polycyclic-carbamoylpyridone compounds and their pharmaceutical use | GILEAD SCIENCES, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-20180110776-A1 | POLYCYCLICCARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2018-04-26 | — | — | US | disclosed |