⚠ 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 | |
|---|---|---|---|---|
| Ethyl Nitrite [Spirit] SCHEMBL132415 | 0.96 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL5331030 | 0.96 | KMT2A (1.00) | — | |
| Ethyl Nitrite [Spirit] SCHEMBL28151734 | 0.93 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL27528340 | 0.93 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL5550468 | 0.93 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL27996522 | 0.90 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL15011675 | 0.87 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL21056441 | 0.87 | — | — | |
| Ethyl Nitrite [Spirit] SCHEMBL28250098 | 0.87 | KMT2A (0.81) | — | |
| Ethyl Nitrite [Spirit] SCHEMBL27679816 | 0.82 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009085574-A2 | MICROWAVE ANTIGEN RETRIEVAL IN NON-AQUEOUS SOLVENTS | SPRING BIOSCIENCE CORPORATION (US) | 2009-07-09 | — | — | WO | claimed |
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | claimed |
| CN-1997620-B | Ionic liquids comprising nitrogen-containing cations | UNIV YORK | 2012-10-03 | — | — | CN | disclosed |
| CN-102344379-A | Ionic liquid containing nitrogen-containing cation | UNIV YORK | 2012-02-08 | — | — | CN | disclosed |
| WO-2009085574-A2 | MICROWAVE ANTIGEN RETRIEVAL IN NON-AQUEOUS SOLVENTS | SPRING BIOSCIENCE CORPORATION (US) | 2009-07-09 | — | — | WO | disclosed |
| CN-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | disclosed |
| US-4959108-A | Explosive compositions and method utilizing bulking and gassing agents | Submarine and Surface Blaster Pty. Limited (AU) | 1990-09-25 | — | — | US | disclosed |