⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8115373 | 0.90 | — | — | |
| SCHEMBL6962940 | 0.90 | HSP90B1 (0.31) | — | |
| SCHEMBL6962070 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL6967899 | 0.88 | GLA (0.32) | — | |
| SCHEMBL6974406 | 0.88 | — | — | |
| SCHEMBL6972300 | 0.88 | HSP90B1 (0.33) | — | |
| SCHEMBL14439835 | 0.87 | — | — | |
| SCHEMBL6974554 | 0.86 | MEN1 (0.31) | — | |
| SCHEMBL7083901 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL6974759 | 0.86 | HSP90B1 (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 |
|---|---|---|---|---|---|---|---|
| US-20070190523-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2007-08-16 | — | — | US | disclosed |