⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21872364 | 0.86 | CYP1A2 (0.37) | — | |
| SCHEMBL20762010 | 0.78 | NCF1 (0.52) | — | |
| SCHEMBL24625583 | 0.78 | — | — | |
| SCHEMBL2046604 | 0.75 | — | — | |
| SCHEMBL6296490 | 0.73 | — | — | |
| SCHEMBL20761407 | 0.73 | — | — | |
| SCHEMBL21371857 | 0.65 | — | — | |
| SCHEMBL19381754 | 0.63 | — | — | |
| SCHEMBL31112617 | 0.62 | CYP1A2 (0.31) | — | |
| SCHEMBL31112383 | 0.61 | CYP1A2 (0.40) | — |
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-2019161017-A1 | PYRIDINE DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION | GILEAD SCIENCES, INC. (US) | 2019-08-22 | — | — | WO | disclosed |