⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19043406 | 0.84 | HIF1A (0.35) | — | |
| SCHEMBL19043137 | 0.80 | CES2 (0.38) | — | |
| SCHEMBL19043149 | 0.79 | HIF1A (0.36) | — | |
| SCHEMBL19287161 | 0.78 | HIF1A (0.38) | — | |
| SCHEMBL28389354 | 0.75 | CYP1A2 (0.38) | — | |
| SCHEMBL19287068 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL19287127 | 0.72 | HIF1A (0.39) | — | |
| SCHEMBL13705727 | 0.70 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL14436576 | 0.69 | BTK (0.49) | — | |
| SCHEMBL863425 | 0.69 | BTK (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110959024-A | Detergent composition containing perfume | 罗地亚经营管理公司 | 2020-04-03 | — | — | CN | disclosed |