⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1828771 | 0.79 | — | — | |
| SCHEMBL3116336 | 0.79 | — | — | |
| SCHEMBL18830907 | 0.77 | CES2 (0.38) | — | |
| SCHEMBL12261095 | 0.77 | GSK3B (0.41) | — | |
| Bromide SCHEMBL17201605 | 0.75 | CTPS1 (0.41) | — | |
| SCHEMBL3450 | 0.74 | — | — | |
| SCHEMBL1612962 | 0.74 | — | — | |
| SCHEMBL22473948 | 0.74 | ALDH1A1 (0.66) | — | |
| SCHEMBL11169071 | 0.74 | MAPT (0.52) | — | |
| SCHEMBL23523357 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116023359-B | Synthesis method of aminothiophene compound and aminothiophene compound | 上海泰坦科技股份有限公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-116023359-A | Synthesis method of aminothiophene compound and aminothiophene compound | 上海泰坦科技股份有限公司 | 2023-04-28 | — | — | CN | disclosed |
| US-9138427-B2 | Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents | NIVALIS THERAPEUTICS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-8691816-B2 | Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents | N30 PHARMACEUTICALS, INC. (US) | 2014-04-08 | — | — | US | disclosed |
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| CN-1732164-A | Compositions useful as inhibitors of ROCK and other protein kinases | VERTEX PHARMA (US) | 2006-02-08 | — | — | CN | disclosed |
| EP-1558607-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-03 | — | — | EP | disclosed |
| US-20040122016-A1 | Compositions useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-24 | — | — | US | disclosed |
| WO-2004041813-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-21 | — | — | WO | disclosed |