⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13250951 | 0.78 | — | — | |
| SCHEMBL25923213 | 0.78 | — | — | |
| SCHEMBL10698293 | 0.78 | — | — | |
| SCHEMBL18636835 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL20096809 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL18813793 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL17852567 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL17852570 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL19037557 | 0.67 | — | — | |
| SCHEMBL26809864 | 0.67 | — | — |
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-9795602-B2 | Polycyclic-carbamoylpyridone compounds and their pharmaceutical use | GILEAD SCIENCES, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170119764-A1 | POLYCYCLICCARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2017-05-04 | — | — | US | disclosed |