⚠ 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 | |
|---|---|---|---|---|
| Propionitrile SCHEMBL10885255 | 0.95 | — | — | |
| Propionitrile SCHEMBL28320874 | 0.95 | — | — | |
| Propionitrile SCHEMBL27287617 | 0.95 | — | — | |
| Propionitrile SCHEMBL28117218 | 0.91 | — | — | |
| Propionitrile SCHEMBL27701221 | 0.91 | — | — | |
| Propionitrile SCHEMBL2872825 | 0.91 | — | — | |
| Propionitrile SCHEMBL15485 | 0.91 | — | — | |
| Propionitrile SCHEMBL11710307 | 0.87 | ALDH1A1 (0.75) | — | |
| Propionitrile SCHEMBL4167227 | 0.86 | ALDH1A1 (0.90) | — | |
| Propionitrile SCHEMBL11859296 | 0.86 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106734047-A | A kind of sulfuric acid iron ore slag method of comprehensive utilization | 湖南恒光化工有限公司 | 2017-05-31 | — | — | CN | claimed |
| CN-106733140-A | A kind of method that utilization waste residue produces ferriferous oxide | 湖南衡阳新澧化工有限公司 | 2017-05-31 | — | — | CN | claimed |
| CN-105057111-A | Copper-sulfur separation method for copper-sulfur ore | BEIJING GEN RES INST MINING | 2015-11-18 | — | — | CN | claimed |
| CN-106734047-A | A kind of sulfuric acid iron ore slag method of comprehensive utilization | 湖南恒光化工有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106733140-A | A kind of method that utilization waste residue produces ferriferous oxide | 湖南衡阳新澧化工有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105057111-A | Copper-sulfur separation method for copper-sulfur ore | BEIJING GEN RES INST MINING | 2015-11-18 | — | — | CN | disclosed |
| CN-104069951-A | Method of synthesizing sulphur nitrogen propionitrile ester collecting agent with dimethyl sulfoxide as solvent and application thereof | UNIV XI AN ARCHITECTURE & TECH | 2014-10-01 | — | — | CN | disclosed |