⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4216111 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL363155 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL296199 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL20565668 | 0.77 | — | — | |
| SCHEMBL848027 | 0.76 | — | — | |
| SCHEMBL1286372 | 0.76 | — | — | |
| SCHEMBL9550981 | 0.76 | — | — | |
| SCHEMBL15559782 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL4956991 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL5634153 | 0.72 | — | — |
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-102574824-B | Desferrithiocin polyether analogues and uses thereof | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2016-04-27 | — | — | CN | disclosed |
| US-8134013-B2 | Amide compound and thrombopoietin receptor activator | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-03-13 | — | — | US | disclosed |
| US-20090131659-A1 | AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2009-05-21 | — | — | US | disclosed |