⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5528968 | 0.81 | DUT (0.34) | — | |
| SCHEMBL5536879 | 0.81 | DUT (0.34) | — | |
| SCHEMBL29864586 | 0.79 | — | — | |
| SCHEMBL18940922 | 0.78 | DUT (0.35) | — | |
| SCHEMBL4748144 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL1445674 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL4748237 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL6517872 | 0.76 | — | — | |
| SCHEMBL2174728 | 0.74 | — | — | |
| SCHEMBL20522989 | 0.74 | BACE1 (0.32) | — |
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-8501658-B2 | Enantioselective reactions catalyzed by chiral triazolium salts | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-08-06 | — | — | US | disclosed |
| US-20100210452-A1 | ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-08-19 | — | — | US | disclosed |
| WO-2007124494-A2 | ENANTIOSELECTVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-11-01 | — | — | WO | disclosed |