⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12181509 | 0.64 | — | — | |
| SCHEMBL21782166 | 0.64 | — | — | |
| SCHEMBL12499927 | 0.53 | — | — | |
| SCHEMBL20307659 | 0.52 | — | — | |
| SCHEMBL14137757 | 0.49 | — | — | |
| SCHEMBL21238975 | 0.49 | — | — | |
| SCHEMBL22297214 | 0.49 | — | — | |
| SCHEMBL375904 | 0.47 | — | — | |
| SCHEMBL12812264 | 0.47 | — | — | |
| SCHEMBL676625 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |