⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4349466 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL4349455 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL4350159 | 0.68 | TSHR (0.34) | — | |
| SCHEMBL4345604 | 0.62 | GAA (0.50) | — | |
| SCHEMBL4341690 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL4347078 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL4348067 | 0.56 | GAA (0.43) | — | |
| SCHEMBL4354896 | 0.55 | HPGD (0.34) | — | |
| SCHEMBL2269412 | 0.47 | TSHR (0.52) | — | |
| SCHEMBL14666358 | 0.47 | CFTR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2088149-A1 | PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF | Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) | 2009-08-12 | — | — | EP | claimed |
| EP-2088149-A1 | PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF | Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) | 2009-08-12 | — | — | EP | disclosed |