⚠ 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 | |
|---|---|---|---|---|
| 2-Pyridinecarboxaldehyde SCHEMBL55278 | 0.97 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL29396810 | 0.97 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL31225163 | 0.95 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL4250790 | 0.95 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL17397008 | 0.95 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL4494509 | 0.95 | MEN1 (0.64) | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL9837153 | 0.95 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL6943571 | 0.95 | — | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL31225336 | 0.95 | MEN1 (0.64) | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL30164006 | 0.95 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10280185-B2 | Mononuclear salen indium catalysts and methods of manufacture and use thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2019-05-07 | — | — | US | disclosed |
| US-20170137442-A1 | MONONUCLEAR SALEN INDIUM CATALYSTS AND METHODS OF MANUFACTURE AND USE THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-05-18 | — | — | US | disclosed |
| WO-2016000071-A1 | MONONUCLEAR SALEN INDIUM CATALYSTS AND METHODS OF MANUFACTURE AND USE THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2016-01-07 | — | — | WO | disclosed |