⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7827736 | 0.96 | NOS2 (0.40) | — | |
| SCHEMBL6272207 | 0.93 | CES2 (0.40) | — | |
| SCHEMBL9830137 | 0.93 | CES2 (0.40) | — | |
| SCHEMBL17801457 | 0.90 | CES2 (0.45) | — | |
| SCHEMBL3881584 | 0.89 | CES2 (0.42) | — | |
| SCHEMBL4203062 | 0.89 | — | — | |
| SCHEMBL4892135 | 0.86 | TSHR (0.45) | — | |
| SCHEMBL1858120 | 0.86 | CES2 (0.47) | — | |
| SCHEMBL6265136 | 0.86 | CES2 (0.47) | — | |
| SCHEMBL673560 | 0.86 | CES2 (0.47) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8013006-B2 | Methods for treating hepatitis C | PTC THERAPEUTICS, INC. (US) | 2011-09-06 | — | — | US | claimed |
| US-7868037-B2 | Methods for treating hepatitis C | PTC THERAPEUTICS, INC. (US) | 2011-01-11 | — | — | US | claimed |
| EP-1448549-B1 | DELTA1-PYRROLINES | BAYER CROPSCIENCE AG (DE) | 2006-11-15 | — | — | EP | claimed |
| EP-1487441-A2 | BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-12-22 | — | — | EP | claimed |
| WO-2003080125-A2 | BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2003-10-02 | — | — | WO | claimed |
| EP-0042659-A1 | 5,6,6a,7-Tetrahydro-4H-dibenz(de,g)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them | GÖDECKE AKTIENGESELLSCHAFT (DE) | 1981-12-30 | — | — | EP | claimed |
| WO-2013037388-A1 | SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-03-21 | — | — | WO | disclosed |
| CN-1189825-A | Sulphonylamino (thio) carbonyltriazolin (thi) ones with aryloxy or arylthio substituents | BAYER AG (DE) | 1998-08-05 | — | — | CN | disclosed |