⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13294092 | 0.87 | NPY1R (0.32) | — | |
| SCHEMBL13839753 | 0.86 | — | — | |
| SCHEMBL13294103 | 0.73 | RAD52 (0.31) | — | |
| SCHEMBL3818024 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL3818026 | 0.71 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3294880 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL13294218 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL10104223 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL13294088 | 0.67 | RORC (0.32) | — | |
| SCHEMBL13839768 | 0.66 | TRPM5 (0.32) | — |
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-2062945-A2 | Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye | L'Oréal (FR) | 2009-05-27 | — | — | EP | disclosed |