⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5033369 | 1.00 | — | — | |
| SCHEMBL5028973 | 0.73 | SMN1; SMN2 (0.56) | — | |
| SCHEMBL5027101 | 0.72 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL5030205 | 0.71 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL25256547 | 0.63 | — | — | |
| SCHEMBL9573745 | 0.63 | — | — | |
| SCHEMBL30881859 | 0.63 | ALDH1A1 (0.37) | — | |
| SCHEMBL12715408 | 0.63 | — | — | |
| Metam SCHEMBL2341349 | 0.61 | ALDH1A1 (0.46) | — | |
| SCHEMBL5030160 | 0.60 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007393-A2 | THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS | Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007118149-A2 | THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) | 2007-10-18 | — | — | WO | disclosed |