⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2487105 | 1.00 | — | — | |
| SCHEMBL12060496 | 1.00 | — | — | |
| SCHEMBL21726271 | 0.78 | — | — | |
| SCHEMBL17198526 | 0.72 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.72 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.72 | — | — | |
| SCHEMBL231354 | 0.72 | — | — | |
| SCHEMBL8584788 | 0.72 | — | — | |
| SCHEMBL911110 | 0.72 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170312795-A1 | SYSTEMS WITH ANTI-FOULING CONTROL AND METHODS FOR CONTROLLING FOULING WITHIN A CHANNEL OF A PLUG FLOW CRYSTALLIZER | PURDUE RESEARCH FOUNDATION | 2017-11-02 | — | — | US | disclosed |
| EP-2995619-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES | Cytokinetics, Inc. (US) | 2016-03-16 | — | — | EP | disclosed |
| EP-2583970-B1 | Certain chemical entities, compositions and methods comprising imidazopyrimidines | CYTOKINETICS INC (US) | 2015-10-14 | — | — | EP | disclosed |
| EP-2069352-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS INC (US) | 2013-10-09 | — | — | EP | disclosed |
| US-8431378-B2 | Aminotransferase, gene encoding the same, and methods of using them | KANEKA CORPORATION (JP) | 2013-04-30 | — | — | US | disclosed |
| US-20120164724-A1 | NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM | KANEKA CORPORATION (JP) | 2012-06-28 | — | — | US | disclosed |
| US-8133705-B2 | Aminotransferase, gene encoding the same, and method of using them | KANEKA CORPORATION (JP) | 2012-03-13 | — | — | US | disclosed |
| US-20100285544-A1 | Novel aminotransferase, gene encoding the same, and method of using them | KANEKA CORPORATION (JP) | 2010-11-11 | — | — | US | disclosed |
| EP-1889907-A1 | NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME | Kaneka Corporation (JP) | 2008-02-20 | — | — | EP | disclosed |