⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2866653 | 0.85 | APP (0.31) | — | |
| SCHEMBL2865494 | 0.83 | ENPP2 (0.38) | — | |
| SCHEMBL1457390 | 0.80 | APP (0.33) | — | |
| SCHEMBL4594430 | 0.75 | ENPP2 (0.44) | — | |
| SCHEMBL19712851 | 0.67 | ORAI1 (0.35) | — | |
| SCHEMBL2866650 | 0.66 | ENPP2 (0.41) | — | |
| SCHEMBL30283030 | 0.66 | APP (0.44) | — | |
| SCHEMBL28247328 | 0.64 | GRM5 (0.45) | — | |
| SCHEMBL27034887 | 0.64 | CACNA2D1 (0.41) | — | |
| SCHEMBL2609821 | 0.63 | ACACB (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7847074-B2 | Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-07 | — | — | US | disclosed |
| EP-1928852-A2 | PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2008-06-11 | — | — | EP | disclosed |
| US-20070073046-A1 | Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-29 | — | — | US | disclosed |
| WO-2007031548-A2 | PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-22 | — | — | WO | disclosed |