⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL426914 | 0.76 | UHRF1 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL426912 | 0.76 | UHRF1 (0.34) | — | |
| SCHEMBL19940867 | 0.75 | ELANE (0.32) | — | |
| SCHEMBL19815612 | 0.71 | ITGB3 (0.33) | — | |
| SCHEMBL19155926 | 0.71 | ITGB3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL19816084 | 0.70 | BLM (0.33) | — | |
| Hydrochloric Acid SCHEMBL19816081 | 0.70 | BLM (0.33) | — | |
| SCHEMBL3133997 | 0.64 | — | — | |
| SCHEMBL3133998 | 0.64 | — | — | |
| SCHEMBL3137102 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895551-B2 | Acrylamide compounds and the use thereof | SHIONOGI & CO., LTD. (JP) | 2014-11-25 | — | — | US | disclosed |
| EP-2414332-B1 | ACRYLAMIDE COMPOUNDS AND THE USE THEREOF | SHIONOGI & CO (JP) | 2013-10-23 | — | — | EP | disclosed |
| EP-2414332-A1 | ACRYLAMIDE COMPOUNDS AND THE USE THEREOF | Shionogi & Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20120022069-A1 | ACRYLAMIDE COMPOUNDS AND THE USE THEREOF | SHIONOGI & CO., LTD. (JP) | 2012-01-26 | — | — | US | disclosed |
| WO-2010114181-A1 | ACRYLAMIDE COMPOUNDS AND THE USE THEREOF | SHIONOGI & CO., LTD. (JP) | 2010-10-07 | — | — | WO | disclosed |