⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL17511839 | 0.96 | — | — | |
| SCHEMBL28014 | 0.85 | ALDH1A1 (0.30) | — | |
| Fluoride SCHEMBL1399379 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1554658 | 0.80 | — | — | |
| SCHEMBL29561426 | 0.80 | — | — | |
| SCHEMBL5014786 | 0.80 | — | — | |
| Water SCHEMBL533765 | 0.80 | — | — | |
| SCHEMBL4826014 | 0.80 | — | — | |
| SCHEMBL1143571 | 0.80 | — | — | |
| Water SCHEMBL15666534 | 0.80 | — | — |
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-2016183131-A1 | LIGAND IONOPHORE CONJUGATES | PURDUE RESEARCH FOUNDATION (US) | 2016-11-17 | — | — | WO | disclosed |
| US-9441024-B2 | Glycosylated polypeptide and drug composition containing said polypeptide | GLYTECH, INC. (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20060234291-A1 | Site selective acylation | MODPRO AB (SE) | 2006-10-19 | — | — | US | disclosed |