⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14404677 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL6259996 | 0.73 | — | — | |
| SCHEMBL14134642 | 0.69 | — | — | |
| SCHEMBL16509351 | 0.69 | — | — | |
| SCHEMBL12332302 | 0.67 | — | — | |
| SCHEMBL21391577 | 0.65 | — | — | |
| SCHEMBL14289016 | 0.65 | — | — | |
| SCHEMBL19214057 | 0.65 | — | — | |
| SCHEMBL10138648 | 0.65 | — | — | |
| SCHEMBL21278095 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2971065-B1 | ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2022-12-14 | — | — | EP | disclosed |
| US-9611256-B2 | Alkyne-, azide- and triazole-containing flavonoids as modulators for multidrug resistance in cancers | THE HONG KONG POLYTECHNIC UNIVERSITY (HK) | 2017-04-04 | — | — | US | disclosed |