⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3284038 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL5174355 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL2477042 | 0.75 | — | — | |
| SCHEMBL2238457 | 0.75 | — | — | |
| SCHEMBL9608571 | 0.75 | — | — | |
| SCHEMBL2477043 | 0.75 | — | — | |
| SCHEMBL3233290 | 0.75 | — | — | |
| SCHEMBL8649474 | 0.75 | HTR3E (0.48) | — | |
| SCHEMBL670197 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL9186168 | 0.73 | HTR3E (0.52) | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552893-B1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-10-29 | — | — | EP | claimed |
| CN-101495464-B | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2014-03-05 | — | — | CN | claimed |
| CN-103396398-A | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2013-11-20 | — | — | CN | claimed |
| US-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | BUR DANIEL (CH) | 2013-04-18 | — | — | US | claimed |
| EP-2552893-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2013-02-06 | — | — | EP | claimed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | claimed |
| CN-101495464-A | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-07-29 | — | — | CN | claimed |
| CN-101405002-A | Prokineticin 2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-08 | — | — | CN | claimed |
| US-20060074105-A1 | Substituted quinoline and quinazoline inhibitors of quinone reductase 2 | SERENEX, INC. (US) | 2006-04-06 | — | — | US | claimed |
| WO-2006034235-A2 | SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 | SERENEX, INC. (US) | 2006-03-30 | — | — | WO | claimed |
| CN-1230431-C | Arylmethylamine derivatives useful as tryptase inhibitors | AVENTIS PHARM PROD INC (US) | 2005-12-07 | — | — | CN | claimed |
| US-20050080261-A1 | Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha | LUM ROBERT T (US) | 2005-04-14 | — | — | US | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-3969446-B1 | COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC THERAPEUTICS INC (US) | 2023-09-27 | — | — | EP | disclosed |
| EP-4219466-A1 | COMPUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC Therapeutics, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |
| WO-1996011927-A1 | ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1996-04-25 | — | — | WO | disclosed |
| EP-0383690-A1 | Derivatives of 2-amino-pentanedioic acid, process for their preparation and intermediates, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1990-08-22 | — | — | EP | disclosed |