⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12657295 | 0.88 | PSMB11 (0.30) | — | |
| SCHEMBL13767336 | 0.88 | PSMB11 (0.30) | — | |
| SCHEMBL6852822 | 0.86 | — | — | |
| SCHEMBL7143894 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL7143031 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL7143029 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL1525596 | 0.82 | — | — | |
| SCHEMBL10578217 | 0.74 | USP2 (0.50) | — | |
| SCHEMBL13358801 | 0.71 | USP2 (0.41) | — | |
| SCHEMBL11000337 | 0.71 | — | — |
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-1887023-A1 | New polysiloxanes with quaternary ammonium groups, method for their manufacture and their use as textile softeners | Evonik Goldschmidt GmbH (DE) | 2008-02-13 | — | — | EP | disclosed |