⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5752803 | 0.80 | KMT2A (0.47) | — | |
| SCHEMBL2170819 | 0.78 | — | — | |
| SCHEMBL27983255 | 0.76 | — | — | |
| SCHEMBL954218 | 0.76 | — | — | |
| SCHEMBL299024 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL26978407 | 0.76 | KMT2A (0.44) | — | |
| SCHEMBL10715836 | 0.76 | — | — | |
| Water SCHEMBL23727754 | 0.74 | — | — | |
| SCHEMBL27926586 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28317604 | 0.74 | KMT2A (0.43) | — |
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 28 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 |
| 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 |
| US-7358249-B2 | Heterocyclic compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2008-04-15 | — | — | US | claimed |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | SHIONOGI & CO., LTD. (JP) | 2006-06-15 | — | — | US | claimed |
| EP-1541558-A1 | HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2005-06-15 | — | — | EP | claimed |
| EP-2552893-B1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-10-29 | — | — | EP | disclosed |
| US-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | BUR DANIEL (CH) | 2013-04-18 | — | — | US | disclosed |
| EP-2552893-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | disclosed |
| US-7960394-B2 | 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| WO-2007042321-A2 | KINASE INHIBITORS | DEVGEN N.V. (BE) | 2007-04-19 | — | — | WO | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2006-11-02 | — | — | US | disclosed |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | SHIONOGI & CO., LTD. (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1541558-A1 | HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-4698339-A | BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| EP-0137403-A2 | Carbapenems, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-04-17 | — | — | EP | disclosed |