⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3834885 | 1.00 | — | — | |
| SCHEMBL6633769 | 0.83 | DPP4 (0.36) | — | |
| SCHEMBL4586910 | 0.81 | — | — | |
| SCHEMBL95729 | 0.81 | — | — | |
| SCHEMBL6639100 | 0.79 | DPP4 (0.33) | — | |
| SCHEMBL27729555 | 0.79 | HDAC4 (0.32) | — | |
| SCHEMBL6637898 | 0.78 | DPP4 (0.31) | — | |
| SCHEMBL27635181 | 0.78 | ADRA2A (0.31) | — | |
| SCHEMBL5755296 | 0.77 | — | — | |
| SCHEMBL1167332 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101910168-A | Tropane compounds | EXELIXIS INC | 2010-12-08 | — | — | CN | disclosed |
| CN-1285572-C | Cannabinoid receptor ligands | SCHERING CORP (US) | 2006-11-22 | — | — | CN | disclosed |
| CN-1489576-A | Cannabinod receptor ligands | ���鹫˾ | 2004-04-14 | — | — | CN | disclosed |