⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8855767 | 0.84 | PARP10 (0.30) | — | |
| SCHEMBL1845987 | 0.81 | HDAC3 (0.31) | — | |
| SCHEMBL1845751 | 0.76 | — | — | |
| SCHEMBL8855734 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL9578304 | 0.73 | NOTUM (0.31) | — | |
| SCHEMBL7042615 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL18293415 | 0.70 | — | — | |
| SCHEMBL9644710 | 0.68 | — | — | |
| SCHEMBL10719597 | 0.68 | — | — | |
| SCHEMBL4423508 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344113-A2 | MEANS FOR TREATING KERATIN FIBRES CONTAINING CATIONIC PYRIDINIUM DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010054981-A2 | COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES | HENKEL AG & CO. KGAA (DE) | 2010-05-20 | — | — | WO | disclosed |