⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12024877 | 0.78 | — | — | |
| SCHEMBL1422640 | 0.73 | DAO (0.39) | — | |
| SCHEMBL12607754 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL12607739 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL14877786 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL23196392 | 0.66 | PNMT (0.32) | — | |
| SCHEMBL20045293 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL12607740 | 0.65 | GPR35 (0.33) | — | |
| SCHEMBL14433680 | 0.64 | PDE10A (0.35) | — | |
| SCHEMBL12607743 | 0.63 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8426424-B2 | Certain substituted amides, method of making, and method of use thereof | CGI PHARMACEUTICALS, INC. (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426424-B2 | Certain substituted amides, method of making, and method of use thereof | CGI PHARMACEUTICALS, INC. (US) | 2013-04-23 | — | — | US | disclosed |
| US-20110118233-A1 | Certain Substituted Amides, Method of Making, and Method of Use Thereof | CGI PHARMACEUTICALS, INC. | 2011-05-19 | — | — | US | disclosed |