⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13933096 | 0.69 | — | — | |
| SCHEMBL691808 | 0.68 | — | — | |
| SCHEMBL16269303 | 0.67 | — | — | |
| SCHEMBL18986435 | 0.67 | — | — | |
| SCHEMBL18944219 | 0.65 | — | — | |
| SCHEMBL13933159 | 0.64 | GAA (0.32) | — | |
| SCHEMBL27905716 | 0.63 | TLR4 (0.33) | — | |
| SCHEMBL124557 | 0.63 | — | — | |
| SCHEMBL7002117 | 0.61 | — | — | |
| SCHEMBL124901 | 0.59 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7683068-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-03-23 | — | — | US | disclosed |
| US-7683068-B2 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-03-23 | — | — | US | disclosed |
| US-20090054462-A1 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | disclosed |
| US-20090054462-A1 | Hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | disclosed |
| US-20090048248-A1 | Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2009-02-19 | — | — | US | disclosed |
| WO-2007002457-A2 | HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| US-6844089-B2 | Organic red electro-luminescent device and dopant | SENSIENT IMAGING TECHNOLOGIES GMBH (DE) | 2005-01-18 | — | — | US | disclosed |
| US-20030232215-A1 | Organic Red Electro-Luminescent Device and Dopant | SYNTEC GESELLSCHAFT FUER CHEMIE UND TECHNOLOGIE DER INFORMATIONSAUFZEICHNUNG MBH (DE) | 2003-12-18 | — | — | US | disclosed |
| EP-1235467-A2 | Electroluminescent device, new luminescent compounds and doping agents | Syntec Gesellschaft für Chemie und Technologie der Informationsaufzeichnung mbH (DE) | 2002-08-28 | — | — | EP | disclosed |