⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5204225 | 0.82 | — | — | |
| SCHEMBL19880869 | 0.78 | EPHX1 (0.46) | — | |
| SCHEMBL466751 | 0.75 | — | — | |
| SCHEMBL21764029 | 0.75 | — | — | |
| SCHEMBL20825035 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22771609 | 0.73 | — | — | |
| SCHEMBL1453453 | 0.73 | — | — | |
| SCHEMBL19454615 | 0.73 | — | — | |
| SCHEMBL336883 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8380450 | 0.71 | ALOX15 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019048450-A1 | SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY | LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) | 2019-03-14 | — | — | WO | disclosed |
| EP-1395638-B1 | COAGULATING AGENT AND SOLUTION FOR THE PRODUCTION OF BI-COMPONENT OR MULTI-COMPONENT GLUES, GLUEING METHOD AND CORRESPONDING DEVICE | COLLANO SA SA (FR) | 2007-08-22 | — | — | EP | disclosed |
| US-20040142192-A1 | Coagulating agent and solution for the production of bi-component or multi-component glues, glueing method and corresponding device | COLLANO SA (FR) | 2004-07-22 | — | — | US | disclosed |