⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4181763 | 0.57 | — | — | |
| SCHEMBL16086012 | 0.51 | — | — | |
| SCHEMBL9204408 | 0.48 | — | — | |
| SCHEMBL16870169 | 0.46 | GSK3B (0.30) | — | |
| SCHEMBL11054729 | 0.45 | — | — | |
| SCHEMBL1603935 | 0.43 | — | — | |
| SCHEMBL2252478 | 0.42 | — | — | |
| SCHEMBL11666054 | 0.42 | — | — | |
| SCHEMBL454358 | 0.42 | — | — | |
| SCHEMBL596397 | 0.42 | — | — |
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-7692015-B2 | Economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer | LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) | 2010-04-06 | — | — | US | disclosed |
| US-20080221329-A1 | Novel and economical process for preparing (S, S)-2, 8-diazabicyclo[4.3.0]nonane and its enantiomer | LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) | 2008-09-11 | — | — | US | disclosed |