⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9905500 | 0.73 | — | — | |
| SCHEMBL290555 | 0.68 | — | — | |
| SCHEMBL4598734 | 0.68 | — | — | |
| SCHEMBL27970894 | 0.66 | — | — | |
| SCHEMBL28608150 | 0.62 | — | — | |
| SCHEMBL28306225 | 0.62 | — | — | |
| SCHEMBL7335206 | 0.62 | — | — | |
| SCHEMBL12966363 | 0.62 | — | — | |
| SCHEMBL13863816 | 0.62 | — | — | |
| SCHEMBL14303818 | 0.62 | — | — |
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-1989191-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | Boehringer Ingelheim International GmbH (DE) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007093610-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-08-23 | — | — | WO | disclosed |