⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4178934 | 0.82 | FKBP1A (0.32) | — | |
| SCHEMBL1353668 | 0.82 | FKBP1A (0.32) | — | |
| SCHEMBL29155923 | 0.75 | — | — | |
| SCHEMBL15579232 | 0.74 | — | — | |
| SCHEMBL6474094 | 0.74 | — | — | |
| SCHEMBL6474099 | 0.74 | — | — | |
| SCHEMBL6474102 | 0.74 | — | — | |
| SCHEMBL2936977 | 0.71 | HTT (0.34) | — | |
| SCHEMBL17312607 | 0.70 | RIPK1 (0.44) | — | |
| SCHEMBL28400180 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050165064-A1 | Novel thiol derivative, process for producing the same and use thereof | TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. | 2005-07-28 | — | — | US | disclosed |
| EP-1500658-A1 | NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2005-01-26 | — | — | EP | disclosed |