⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5317607 | 0.85 | FDPS (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL15355270 | 0.79 | KCNH2 (0.32) | — | |
| SCHEMBL27191538 | 0.75 | — | — | |
| Iodide SCHEMBL1458237 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL3554363 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL3687780 | 0.72 | — | — | |
| Iodide SCHEMBL2379832 | 0.72 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28980436 | 0.71 | KCNH2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL367182 | 0.71 | — | — | |
| SCHEMBL597792 | 0.71 | TSHR (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-3941424-A1 | HAIR COLORANT COMPOSITIONS | Wella International Operations Switzerland Sàrl (CH) | 2022-01-26 | — | — | EP | disclosed |