⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4583553 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3929428 | 0.99 | — | — | |
| SCHEMBL4584179 | 0.89 | CYP24A1 (0.34) | — | |
| Bromide SCHEMBL3937837 | 0.88 | CYP24A1 (0.33) | — | |
| SCHEMBL4582953 | 0.85 | MEN1 (0.36) | — | |
| SCHEMBL13717260 | 0.85 | MEN1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL3938803 | 0.85 | MEN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3938795 | 0.85 | MEN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3938798 | 0.85 | MEN1 (0.35) | — | |
| SCHEMBL4584627 | 0.82 | KDM4A (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569079-B2 | Polycationic monochromophoric hydrazone compounds, dye compositions comprising such polycationic compounds and dyeing process using them | L'OREAL S.A. (FR) | 2009-08-04 | — | — | US | disclosed |
| US-20080263785-A1 | Polycationic monochromophoric hydrazone compounds, dye compositions comprising such polycationic compounds and dyeing process using them | L'OREAL S.A. (FR) | 2008-10-30 | — | — | US | disclosed |
| EP-1980558-A1 | Polycationic monochromophoric compounds of hydrazone type, dyeing compositions comprising same and dyeing method | L'Oréal (FR) | 2008-10-15 | — | — | EP | disclosed |