⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1895315 | 0.81 | — | — | |
| SCHEMBL3233172 | 0.79 | PAOX (0.44) | — | |
| SCHEMBL28893422 | 0.73 | CA12 (0.50) | — | |
| SCHEMBL4972514 | 0.72 | ODC1 (0.35) | — | |
| SCHEMBL14160325 | 0.69 | — | — | |
| SCHEMBL26768 | 0.69 | — | — | |
| SCHEMBL4453328 | 0.68 | CYP2D6 (0.41) | — | |
| Hydrochloric Acid SCHEMBL25294729 | 0.67 | — | — | |
| Bromide SCHEMBL10492849 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL21770 | 0.67 | — | — |
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-2651956-A1 | SECONDARY AMINOSILANES | Sika Technology AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080266-A1 | SECONDARY AMINOSILANES | SIKA TECHNOLOGY AG (CH) | 2012-06-21 | — | — | WO | disclosed |