⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5771922 | 0.84 | — | — | |
| SCHEMBL56690 | 0.70 | TRPA1 (0.42) | — | |
| Charcoal, Activated SCHEMBL30695269 | 0.68 | TRPA1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL11654712 | 0.68 | TRPA1 (0.41) | — | |
| Hydrogen Sulfide SCHEMBL27726723 | 0.68 | TRPA1 (0.41) | — | |
| Bromide SCHEMBL7979442 | 0.68 | TRPA1 (0.41) | — | |
| SCHEMBL4997779 | 0.68 | TRPA1 (0.41) | — | |
| SCHEMBL7389674 | 0.68 | — | — | |
| Methane SCHEMBL29133449 | 0.68 | TRPA1 (0.41) | — | |
| SCHEMBL9251714 | 0.68 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1276722-B1 | NAPHTHAMIDINE UROKINASE INHIBITORS | ABBOTT LAB (US) | 2006-03-08 | — | — | EP | claimed |
| EP-1276722-A1 | NAPHTHAMIDINE UROKINASE INHIBITORS | Abbott Laboratories (US) | 2003-01-22 | — | — | EP | claimed |
| 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 | claimed |
| WO-2001081314-A1 | NAPHTHAMIDINE UROKINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2001-11-01 | — | — | WO | claimed |
| CN-103443092-A | Pyrrole derivatives used as modulators of alpha7 nachr | LUPIN LTD | 2013-12-11 | — | — | CN | disclosed |
| EP-1276722-B1 | NAPHTHAMIDINE UROKINASE INHIBITORS | ABBOTT LAB (US) | 2006-03-08 | — | — | EP | 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 |
| WO-1992011242-A1 | FUNGICIDAL ISOQUINOLINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1992-07-09 | — | — | WO | disclosed |
| EP-0491441-A1 | Fungicidal isoquinoline derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-06-24 | — | — | EP | disclosed |