⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23571443 | 0.84 | — | — | |
| SCHEMBL26186634 | 0.83 | CYP2E1 (0.30) | — | |
| SCHEMBL23115030 | 0.80 | CPA1 (0.31) | — | |
| SCHEMBL20306252 | 0.77 | — | — | |
| SCHEMBL21025597 | 0.76 | — | — | |
| SCHEMBL28870172 | 0.75 | NR2E1 (0.31) | — | |
| SCHEMBL14926161 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL14857102 | 0.74 | KDM5A (0.32) | — | |
| SCHEMBL2937568 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL27867139 | 0.69 | CYP2C19 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10774053-B2 | HIV protease inhibitors | GILEAD SCIENCES, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| US-20190210978-A1 | HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-07-11 | — | — | US | disclosed |