⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18543120 | 0.92 | KCNH2 (0.31) | — | |
| SCHEMBL4048797 | 0.86 | — | — | |
| SCHEMBL26129787 | 0.86 | — | — | |
| SCHEMBL16763155 | 0.84 | KCNH2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL17361360 | 0.79 | — | — | |
| SCHEMBL25335683 | 0.78 | — | — | |
| SCHEMBL28515150 | 0.78 | HRH3 (0.31) | — | |
| SCHEMBL27260243 | 0.78 | — | — | |
| SCHEMBL2633393 | 0.78 | — | — | |
| SCHEMBL1187446 | 0.78 | — | — |
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-3256471-A1 | NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2017-12-20 | — | — | EP | disclosed |
| EP-3099685-A1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-12-07 | — | — | EP | disclosed |
| WO-2016128335-A1 | NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |
| WO-2015113990-A1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2015-08-06 | — | — | WO | disclosed |
| EP-1857471-B1 | POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER | MITSUI CHEMICALS INC (JP) | 2013-04-24 | — | — | EP | disclosed |
| US-7960305-B2 | a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers | MITSUI CHEMICALS, INC. (JP) | 2011-06-14 | — | — | US | disclosed |
| CN-101128491-B | Polymerization catalyst composition and method for producing polymer | MITSUI CHEMICALS INC | 2010-09-08 | — | — | CN | disclosed |
| US-20080177014-A1 | Polymerization Catalyst Composition and Process for Production of Polymer | MITSUI CHEMICALS, INC. (JP) | 2008-07-24 | — | — | US | disclosed |
| CN-101128491-A | Polymerization catalyst composition and method for producing polymer | MITSUI CHEMICALS INC (JP) | 2008-02-20 | — | — | CN | disclosed |
| EP-1857471-A1 | POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER | Mitsui Chemicals, Inc. (JP) | 2007-11-21 | — | — | EP | disclosed |
| EP-1740547-A1 | PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005100321-A1 | PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-10-27 | — | — | WO | disclosed |