⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6434686 | 0.74 | PIK3CA (0.43) | — | |
| SCHEMBL11686059 | 0.68 | IDO1 (0.52) | — | |
| SCHEMBL9258717 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL15942236 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL10726692 | 0.67 | ALDH1A1 (0.53) | — | |
| SCHEMBL10308947 | 0.66 | ALPL (0.41) | — | |
| SCHEMBL6434684 | 0.64 | CD44 (0.41) | — | |
| SCHEMBL482476 | 0.63 | GPR35 (0.35) | — | |
| SCHEMBL28314200 | 0.63 | CYP3A4 (0.41) | — | |
| SCHEMBL11996735 | 0.63 | HDAC1 (0.39) | — |
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-20050288347-A1 | Certain triazole-based compounds, compositions, and uses thereof | AGRIUS GROUP, LLC. | 2005-12-29 | — | — | US | disclosed |