⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13453019 | 1.00 | — | — | |
| SCHEMBL11895917 | 0.75 | — | — | |
| SCHEMBL15150018 | 0.74 | — | — | |
| SCHEMBL15150022 | 0.74 | — | — | |
| SCHEMBL3408289 | 0.74 | — | — | |
| SCHEMBL15547650 | 0.67 | — | — | |
| SCHEMBL27595625 | 0.67 | — | — | |
| SCHEMBL15149745 | 0.64 | — | — | |
| SCHEMBL12448905 | 0.63 | — | — | |
| SCHEMBL257210 | 0.63 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117088885-A | Triazolopyridazine compound and application thereof | 上海赛默罗生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-107848967-B | Cyclic quaternary ammonium salts as fuel or lubricant additives | 因诺斯佩克有限公司 | 2022-05-27 | — | — | CN | disclosed |
| US-20120328546-A1 | Paxillin Stimulating Compositions and Cosmetic Uses Thereof | AVON PRODUCTS, INC. (US) | 2012-12-27 | — | — | US | disclosed |
| US-8168212-B2 | Topical compositions comprising non-proteogenic amino acids and methods of treating skin | AVON PRODUCTS, INC (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110151029-A1 | Paxillin Stimulating Compositions and Cosmetic Uses Thereof | AVON PRODUCTS, INC. (US) | 2011-06-23 | — | — | US | disclosed |
| US-20100330109-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-30 | — | — | US | disclosed |
| US-20100261769-A1 | Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin | AVON PRODUCTS, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-7790729-B2 | Inhibitors of VEGF receptor and HGF receptor signaling | METHYLGENE INC. (CA) | 2010-09-07 | — | — | US | disclosed |
| US-20100216766-A1 | Inhibitors of VEGF Receptor and HGF Receptor Signalling | 92229129 QUEBEC INC. (CA) | 2010-08-26 | — | — | US | disclosed |
| US-7776887-B2 | producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-17 | — | — | US | disclosed |
| US-20100063267-A1 | BI-FUNCTIONAL COMPOUND POSITIVELY CHARGED AT FIRST PH AND NEGATIVELY CHARGED AT SECOND PH, SOLID SUPPORT COMPRISING THE BI-FUNCTIONAL COMPOUND, AND METHOD OF ISOLATING NUCLEIC ACID USING THE SAME | SAMSUNG ELECTRONICS CO., LTD (KR) | 2010-03-11 | — | — | US | disclosed |
| US-7378422-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-05-27 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |
| US-7241796-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INC. (US) | 2007-07-10 | — | — | US | disclosed |
| US-4047964-A | BENZISOXAZOLE | FUJI PHOTO FILM CO., LTD. (JA) | 1977-09-13 | — | — | US | disclosed |