⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9338632 | 0.83 | HDAC6 (0.64) | — | |
| SCHEMBL11533523 | 0.81 | FAAH (0.57) | — | |
| Ammonia Solution, Strong SCHEMBL5367620 | 0.78 | HDAC6 (0.69) | — | |
| SCHEMBL8172189 | 0.75 | — | — | |
| SCHEMBL30495528 | 0.74 | FAAH (0.58) | — | |
| SCHEMBL1712961 | 0.74 | FAAH (0.46) | — | |
| SCHEMBL27410727 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL17765474 | 0.73 | FAAH (0.50) | — | |
| Trifluoroacetic Acid SCHEMBL8201988 | 0.72 | LMNA (0.48) | — | |
| SCHEMBL28877298 | 0.71 | HDAC6 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2054411-B1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORP (KR) | 2014-08-20 | — | — | EP | disclosed |
| US-7858621-B2 | Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same | AMOREPACIFIC CORPORATION (KR) | 2010-12-28 | — | — | US | disclosed |
| EP-2054411-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2009-05-06 | — | — | EP | disclosed |
| US-20080312234-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-12-18 | — | — | US | disclosed |
| WO-2008013414-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-01-31 | — | — | WO | disclosed |
| US-6864385-B2 | Process for the preparation of 4-haloalkylnicotinonitriles | AVENTIS CROPSCIENCE GMBH (DE) | 2005-03-08 | — | — | US | disclosed |
| EP-1345906-A2 | METHOD FOR PRODUCING 4-HALOALKYL NICOTINE NITRILES | Bayer CropScience GmbH (DE) | 2003-09-24 | — | — | EP | disclosed |
| US-20030109711-A1 | Process for the preparation of 4-haloalkylnicotinonitriles | BAYER CROPSCIENCE AG (DE) | 2003-06-12 | — | — | US | disclosed |
| US-6541640-B2 | Intermediates in preparation of pesticides, by reacting a 3-amino-1-haloalkyl-2-propen-1-one in a condensation reaction with nitriles such as cyanoacetylene and subjecting the resulting compound to a ring closure reaction | AVENTIS CROPSCIENCE GMBH (DE) | 2003-04-01 | — | — | US | disclosed |
| US-20020087004-A1 | Process for the preparation of 4-Haloalkylnicotinonitriles | BAYER CROPSCIENCE AG (DE) | 2002-07-04 | — | — | US | disclosed |
| WO-2002048111-A2 | METHOD FOR PRODUCING 4-HALOALKYL NICOTINE NITRILES | BAYER CROPSCIENCE GMBH (DE) | 2002-06-20 | — | — | WO | disclosed |