⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25696518 | 0.89 | — | — | |
| SCHEMBL3266125 | 0.73 | PDE3B (0.39) | — | |
| SCHEMBL18596185 | 0.73 | PDE3B (0.35) | — | |
| SCHEMBL13019403 | 0.73 | CCR9 (0.30) | — | |
| SCHEMBL19834902 | 0.72 | NOS3 (0.33) | — | |
| SCHEMBL21794553 | 0.72 | GAA (0.33) | — | |
| SCHEMBL23205897 | 0.70 | — | — | |
| SCHEMBL13064098 | 0.70 | SELE (0.35) | — | |
| SCHEMBL20560760 | 0.70 | NOS3 (0.38) | — | |
| SCHEMBL13971734 | 0.70 | GABRA1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159529-A1 | AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG | SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) | 2023-05-25 | — | — | US | disclosed |
| US-20230159529-A1 | AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG | SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) | 2023-05-25 | — | — | US | disclosed |
| US-9586978-B2 | Anti-viral compounds | ABBVIE INC. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20120004196-A1 | Anti-Viral Compounds | Abbott Labaoratories (US) | 2012-01-05 | — | — | US | disclosed |
| US-20110092415-A1 | Anti-Viral Compounds | Abbott Labaoratories (US) | 2011-04-21 | — | — | US | disclosed |
| US-20070049620-A1 | Cyclic tertiary amine compound | SANKYO COMPANY, LIMITED (JP) | 2007-03-01 | — | — | US | disclosed |