⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28645287 | 0.75 | — | — | |
| SCHEMBL1673128 | 0.67 | — | — | |
| SCHEMBL28827769 | 0.64 | HSP90AA1 (0.33) | — | |
| SCHEMBL17476685 | 0.64 | TP53 (0.33) | — | |
| SCHEMBL28408851 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL7215900 | 0.63 | NISCH (0.37) | — | |
| SCHEMBL16766999 | 0.61 | LMNA (0.36) | — | |
| SCHEMBL28420034 | 0.60 | — | — | |
| SCHEMBL29049655 | 0.60 | — | — | |
| SCHEMBL28313237 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112367966-A | Hair colouring compositions comprising oxidation dyes, scleroglucan gums and alkaline agents such as amino acids | 莱雅公司 | 2021-02-12 | — | — | CN | disclosed |