⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21149589 | 1.00 | — | — | |
| SCHEMBL20907562 | 1.00 | — | — | |
| SCHEMBL21112831 | 0.86 | EGLN1 (0.33) | — | |
| SCHEMBL21112828 | 0.86 | EGLN1 (0.33) | — | |
| SCHEMBL28399073 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL21149528 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL21148933 | 0.79 | BRPF1 (0.41) | — | |
| SCHEMBL20908218 | 0.79 | BRPF1 (0.41) | — | |
| SCHEMBL29640198 | 0.77 | AAK1 (0.34) | — | |
| SCHEMBL28404125 | 0.71 | SSTR4 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11352329-B2 | HIV protease inhibitors | GILEAD SCIENCES, INC. (US) | 2022-06-07 | — | — | US | disclosed |