⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1939702 | 0.83 | PKM (0.35) | — | |
| SCHEMBL14656069 | 0.80 | — | — | |
| SCHEMBL11405480 | 0.65 | PKM (0.44) | — | |
| SCHEMBL22660504 | 0.65 | — | — | |
| SCHEMBL8941008 | 0.65 | PKM (0.44) | — | |
| SCHEMBL14859331 | 0.64 | — | — | |
| SCHEMBL14403170 | 0.63 | — | — | |
| SCHEMBL9905932 | 0.60 | — | — | |
| SCHEMBL4055534 | 0.60 | EPHX2 (0.32) | — | |
| SCHEMBL27072990 | 0.59 | — | — |
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-20080275112-A1 | Invention Concerning Aminoadamantane Compounds | SCHREINER PETER R | 2008-11-06 | — | — | US | disclosed |
| US-20080275112-A1 | Invention Concerning Aminoadamantane Compounds | SCHREINER PETER R | 2008-11-06 | — | — | US | disclosed |
| US-20080275112-A1 | Invention Concerning Aminoadamantane Compounds | SCHREINER PETER R | 2008-11-06 | — | — | US | disclosed |
| EP-1789380-A1 | AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF | Justus-Liebig-Universität Giessen (DE) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006010362-A1 | AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF | JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) | 2006-02-02 | — | — | WO | disclosed |