⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994075 | 0.72 | — | — | |
| SCHEMBL28934067 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL6747830 | 0.67 | — | — | |
| SCHEMBL1331358 | 0.67 | — | — | |
| SCHEMBL9584 | 0.67 | — | — | |
| SCHEMBL24137 | 0.67 | — | — | |
| SCHEMBL125404 | 0.67 | — | — | |
| SCHEMBL1332028 | 0.67 | — | — | |
| SCHEMBL3171034 | 0.67 | — | — | |
| SCHEMBL28242932 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160122547-A1 | METHOD FOR PRODUCING DYE MULTIMER, AND METHOD FOR PRODUCING COLORING COMPOSITION | FUJIFILM CORPORATION (JP) | 2016-05-05 | — | — | US | disclosed |
| US-8133909-B2 | Heteroaromatic monoamides as orexinin receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-03-13 | — | — | US | disclosed |
| WO-2012027712-A2 | POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS | RFS PHARMA, LLC (US) | 2012-03-01 | — | — | WO | disclosed |
| WO-2011148922-A1 | NOVEL QUINAZOLINE COMPOUND | 田辺三菱製薬株式会社 (JP) | 2011-12-01 | — | — | WO | disclosed |
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | disclosed |
| US-20090312314-A1 | HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | US | disclosed |
| WO-2008079988-A2 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008006744-A2 | POLYSILOXANE ANTIMICROBIALS | CIBA HOLDING INC. (CH) | 2008-01-17 | — | — | WO | disclosed |
| WO-2007021574-A1 | BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2007-02-22 | — | — | WO | disclosed |
| WO-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | disclosed |