⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13294112 | 0.95 | KMT2A (0.32) | — | |
| SCHEMBL13294100 | 0.83 | KDM4E (0.35) | — | |
| SCHEMBL13839776 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL13327489 | 0.65 | CHRM2 (0.38) | — | |
| SCHEMBL13908706 | 0.64 | KMT2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL3291834 | 0.64 | CHRM2 (0.38) | — | |
| SCHEMBL3820058 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL3820056 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL13327529 | 0.63 | MEN1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL3292225 | 0.63 | ALDH1A1 (0.33) | — |
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 |