⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20181258 | 1.00 | — | — | |
| SCHEMBL4455708 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL17715403 | 0.79 | — | — | |
| SCHEMBL7352618 | 0.73 | — | — | |
| SCHEMBL3726549 | 0.73 | — | — | |
| SCHEMBL28753441 | 0.69 | — | — | |
| SCHEMBL2230312 | 0.69 | — | — | |
| SCHEMBL1711621 | 0.69 | TSHR (0.30) | — | |
| Methylamine SCHEMBL8782164 | 0.68 | — | — | |
| SCHEMBL18877174 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100427178-C | Solvent and method for simultaneous removal of hydrogen sulphide and carbon dioxide | NANJING CHEM IND CO RES INST (CN) | 2008-10-22 | — | — | CN | claimed |
| CN-1962032-A | Solvent and method for simultaneous removal of hydrogen sulphide and carbon dioxide | NANJING CHEM IND CO RES INST (CN) | 2007-05-16 | — | — | CN | claimed |
| CN-100427178-C | Solvent and method for simultaneous removal of hydrogen sulphide and carbon dioxide | NANJING CHEM IND CO RES INST (CN) | 2008-10-22 | — | — | CN | disclosed |
| CN-1962032-A | Solvent and method for simultaneous removal of hydrogen sulphide and carbon dioxide | NANJING CHEM IND CO RES INST (CN) | 2007-05-16 | — | — | CN | disclosed |