⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28717744 | 0.97 | — | — | |
| SCHEMBL26831975 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1072963 | 0.69 | — | — | |
| SCHEMBL589950 | 0.67 | — | — | |
| SCHEMBL5436582 | 0.63 | — | — | |
| SCHEMBL30527126 | 0.63 | — | — | |
| SCHEMBL1327501 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL1071446 | 0.62 | — | — | |
| SCHEMBL8052784 | 0.62 | — | — | |
| SCHEMBL989420 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160159825-A1 | Regioselective 1,2-Dearomatization of Functionalized Azines by Organolanthanide Catalysts | NATIONAL SCIENCE FOUNDATION | 2016-06-09 | — | — | US | disclosed |
| WO-2007104361-A1 | NANOFIBERS FROM FUNCTIONALIZED ORGANIC MOLECULES | CARL VON OSSIETZKY UNIVERSITÄT OLDENBURG (DE) | 2007-09-20 | — | — | WO | disclosed |