⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28208601 | 0.74 | — | — | |
| SCHEMBL6206070 | 0.65 | — | — | |
| SCHEMBL15025230 | 0.65 | — | — | |
| SCHEMBL251418 | 0.65 | — | — | |
| SCHEMBL2300630 | 0.63 | — | — | |
| SCHEMBL2300632 | 0.63 | — | — | |
| SCHEMBL44720 | 0.63 | — | — | |
| SCHEMBL2880198 | 0.61 | — | — | |
| SCHEMBL1389080 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL15010572 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080228000-A1 | Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions | BRANDEIS UNIVERSITY (US) | 2008-09-18 | — | — | US | claimed |
| US-20210292929-A1 | METHODS AND SYSTEMS FOR REDOX-TRIGGERED SURFACE IMMOBILIZATION OF POLYIONIC SPECIES ON A SUBSTRATE | NATIONAL SCIENCE FOUNDATION | 2021-09-23 | — | — | US | disclosed |
| US-8097750-B2 | Highly enantioselective, converting aromatic and aliphatic aldehydes into optically active aryl and alkyl beta -amino acids | BRANDEIS UNIVERSITY (US) | 2012-01-17 | — | — | US | disclosed |
| US-20080228000-A1 | Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions | BRANDEIS UNIVERSITY (US) | 2008-09-18 | — | — | US | disclosed |