⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160834 | 0.81 | — | — | |
| SCHEMBL67972 | 0.81 | — | — | |
| SCHEMBL8668054 | 0.81 | — | — | |
| SCHEMBL15674500 | 0.78 | — | — | |
| SCHEMBL472894 | 0.78 | — | — | |
| SCHEMBL303221 | 0.78 | — | — | |
| Water SCHEMBL18764007 | 0.78 | — | — | |
| SCHEMBL8857941 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6849656 | 0.75 | — | — | |
| SCHEMBL15632626 | 0.73 | — | — |
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-2099809-B1 | PROCESS FOR PREPARING ORGANIC SILANE COMPOUNDS HAVING BETA-CYANO ESTER GROUP | LG CHEMICAL LTD (KR) | 2013-03-06 | — | — | EP | claimed |