⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20641988 | 0.79 | — | — | |
| SCHEMBL5777564 | 0.68 | — | — | |
| SCHEMBL1162910 | 0.67 | — | — | |
| SCHEMBL14938774 | 0.67 | — | — | |
| SCHEMBL56690 | 0.66 | TRPA1 (0.42) | — | |
| SCHEMBL8104862 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL152378 | 0.65 | — | — | |
| SCHEMBL7407229 | 0.64 | — | — | |
| SCHEMBL1162951 | 0.64 | — | — | |
| SCHEMBL4997779 | 0.64 | TRPA1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101611039-A | HCV NS3 protease inhibitors | MERCK & CO INC (US) | 2009-12-23 | — | — | CN | disclosed |
| EP-1276722-A1 | NAPHTHAMIDINE UROKINASE INHIBITORS | Abbott Laboratories (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6504031-B1 | Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents | ABBOTT LABORATORIES | 2003-01-07 | — | — | US | disclosed |
| US-6495562-B1 | SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE | ABBOTT LABORATORIES | 2002-12-17 | — | — | US | disclosed |
| WO-2001081314-A1 | NAPHTHAMIDINE UROKINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2001-11-01 | — | — | WO | disclosed |