⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11901029 | 0.89 | PARP1 (0.35) | — | |
| SCHEMBL11901031 | 0.89 | PARP1 (0.35) | — | |
| SCHEMBL1672869 | 0.88 | ENPP2 (0.38) | — | |
| SCHEMBL1671516 | 0.87 | ENPP2 (0.35) | — | |
| SCHEMBL1670824 | 0.85 | GPR183 (0.32) | — | |
| SCHEMBL1670737 | 0.85 | MGLL (0.34) | — | |
| SCHEMBL1670770 | 0.84 | PDE5A (0.33) | — | |
| SCHEMBL17888827 | 0.84 | ENPP2 (0.40) | — | |
| SCHEMBL11962598 | 0.83 | PARP1 (0.34) | — | |
| SCHEMBL11962574 | 0.79 | ENPP2 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488504-B1 | SULFOXIDE DERIVATIVES FOR TREATING TUMORS | MERCK PATENT GMBH (DE) | 2016-07-06 | — | — | EP | disclosed |
| EP-2488504-A1 | SULFOXIDE DERIVATIVES FOR TREATING TUMORS | Merck Patent GmbH (DE) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011044978-A1 | SULFOXIDE DERIVATIVES FOR TREATING TUMORS | MERCK PATENT GMBH (DE) | 2011-04-21 | — | — | WO | disclosed |