⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6751835 | 0.78 | — | — | |
| SCHEMBL9551994 | 0.77 | — | — | |
| SCHEMBL10447280 | 0.75 | — | — | |
| SCHEMBL1637783 | 0.68 | — | — | |
| SCHEMBL28159224 | 0.67 | — | — | |
| SCHEMBL3942132 | 0.66 | — | — | |
| SCHEMBL9706543 | 0.65 | — | — | |
| SCHEMBL3363635 | 0.65 | — | — | |
| SCHEMBL8662130 | 0.64 | — | — | |
| SCHEMBL7846506 | 0.63 | GAA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006087195-A2 | DYE COMPOSITION COMPRISING AT LEAST ONE METHINE DYE OF PARTICULAR STRUCTURE AND PROCESS FOR IMPLEMENTATION THEREOF | L'OREAL (FR) | 2006-08-24 | — | — | WO | disclosed |