⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765862 | 1.00 | — | — | |
| SCHEMBL22045133 | 1.00 | — | — | |
| SCHEMBL21947331 | 1.00 | — | — | |
| SCHEMBL26258230 | 0.94 | — | — | |
| SCHEMBL26243144 | 0.94 | — | — | |
| SCHEMBL20886816 | 0.94 | — | — | |
| SCHEMBL20886774 | 0.94 | — | — | |
| SCHEMBL2291143 | 0.94 | — | — | |
| SCHEMBL22693880 | 0.85 | — | — | |
| SCHEMBL16082090 | 0.84 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| US-9546153-B2 | Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-01-17 | — | — | US | disclosed |
| US-20150274696-A1 | BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-10-01 | — | — | US | disclosed |
| WO-2014074657-A1 | BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-05-15 | — | — | WO | disclosed |
| EP-2583678-A2 | Small molecule immunopotentiators and assays for their detection | Novartis Vaccines and Diagnostics, Inc. (US) | 2013-04-24 | — | — | EP | disclosed |
| US-20110104186-A1 | Small molecule immunopotentiators and assays for their detection | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2011-05-05 | — | — | US | disclosed |
| EP-1768662-A2 | SMALL MOLECULE IMMUNOPOTENTIATORS AND ASSAYS FOR THEIR DETECTION | Novartis Vaccines and Diagnostics, Inc. (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006115509-A2 | SMALL MOLECULE IMMUNOPOTENTIATORS AND ASSAYS FOR THEIR DETECTION | NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) | 2006-11-02 | — | — | WO | disclosed |
| EP-1483249-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2006-09-06 | — | — | EP | disclosed |
| WO-1999016420-A9 | STABILIZED PREPARATIONS FOR USE IN NEBULIZERS | ALLIANCE PHARMA (US) | 1999-06-17 | — | — | WO | disclosed |