⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3156962 | 0.84 | — | — | |
| SCHEMBL3033388 | 0.74 | — | — | |
| SCHEMBL119174 | 0.72 | — | — | |
| SCHEMBL14191890 | 0.72 | — | — | |
| SCHEMBL424560 | 0.72 | — | — | |
| SCHEMBL8764000 | 0.71 | — | — | |
| SCHEMBL1270180 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3856795 | 0.70 | — | — | |
| SCHEMBL12499955 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL29261305 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110124647-A1 | INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES | BAYER CROPSCIENCE AG (DE) | 2011-05-26 | — | — | US | disclosed |
| US-20110124647-A1 | INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES | BAYER CROPSCIENCE AG (DE) | 2011-05-26 | — | — | US | disclosed |
| US-7700628-B2 | Aromatic ether derivatives useful as thrombin inhibitors | ELI LILLY AND COMPANY (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1817287-B1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | LILLY CO ELI (US) | 2010-02-10 | — | — | EP | disclosed |
| US-20090227566-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2009-09-10 | — | — | US | disclosed |
| EP-1636218-B1 | THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS | MERCK PATENT GMBH (DE) | 2009-03-25 | — | — | EP | disclosed |
| EP-1817287-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | Eli Lilly and Company (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057845-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-06-01 | — | — | WO | disclosed |
| EP-0501693-B1 | Isoquinoline derivatives | BANYU PHARMA CO LTD (JP) | 1996-08-28 | — | — | EP | disclosed |
| US-5362736-A | Alkoxy derivatives for cardiovascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-11-08 | — | — | US | disclosed |
| EP-0501693-A1 | Isoquinoline derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1992-09-02 | — | — | EP | disclosed |