⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5281681 | 0.91 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL5279358 | 0.84 | — | — | |
| SCHEMBL5274979 | 0.80 | MAOB (0.38) | — | |
| SCHEMBL5278620 | 0.80 | NPC1 (0.31) | — | |
| SCHEMBL5279355 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL5281954 | 0.77 | — | — | |
| SCHEMBL5278499 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL5278923 | 0.77 | SLC9A1 (0.36) | — | |
| SCHEMBL5276599 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL5278793 | 0.75 | MAOB (0.38) | — |
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-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |