⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5325516 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL5320970 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL5319281 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL5319171 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL5319147 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL5318406 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL5319454 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL5319063 | 0.72 | HIF1A (0.31) | — | |
| SCHEMBL5331784 | 0.72 | HIF1A (0.31) | — | |
| SCHEMBL5320667 | 0.72 | HIF1A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |