⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13471236 | 0.80 | TRPA1 (0.32) | — | |
| SCHEMBL5320924 | 0.77 | — | — | |
| SCHEMBL5862159 | 0.74 | — | — | |
| SCHEMBL11737127 | 0.72 | — | — | |
| SCHEMBL11737125 | 0.72 | — | — | |
| SCHEMBL1445277 | 0.72 | — | — | |
| SCHEMBL676011 | 0.72 | — | — | |
| SCHEMBL175816 | 0.72 | — | — | |
| SCHEMBL4790392 | 0.72 | — | — | |
| SCHEMBL11060370 | 0.72 | — | — |
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-10851130-B2 | Chemical synthesis method of Plesiomonas shigelloides serotype O51 O-antigen oligosaccharide | JIANGNAN UNIVERSITY (CN) | 2020-12-01 | — | — | US | disclosed |
| US-20190233459-A1 | Chemical Synthesis Method of Plesiomonas Shigelloides Serotype O51 O-antigen Oligosaccharide | JIANGNAN UNIVERSITY (CN) | 2019-08-01 | — | — | US | disclosed |
| US-9862851-B2 | Coatings for zinc sulfide optics | RAYTHEON COMPANY (US) | 2018-01-09 | — | — | US | disclosed |
| US-20170137657-A1 | COATINGS FOR ZINC SULFIDE OPTICS | RAYTHEON COMPANY | 2017-05-18 | — | — | US | disclosed |