⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17933524 | 0.50 | — | — | |
| SCHEMBL7918381 | 0.50 | — | — | |
| SCHEMBL16578085 | 0.45 | GBA1 (0.36) | — | |
| SCHEMBL14564517 | 0.45 | GBA1 (0.36) | — | |
| SCHEMBL16381564 | 0.45 | — | — | |
| SCHEMBL14286760 | 0.45 | GBA1 (0.36) | — | |
| SCHEMBL7698880 | 0.33 | — | — | |
| SCHEMBL50666 | 0.33 | — | — | |
| SCHEMBL29612863 | 0.33 | — | — | |
| SCHEMBL2701509 | 0.33 | — | — |
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 5 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 |
| CN-102869261-A | Compounds and therapeutic uses thereof | MYREXIS INC | 2013-01-09 | — | — | CN | 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 |
| WO-2010130708-A1 | BETA-LACTAMASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-11-18 | — | — | WO | disclosed |
| US-20080228000-A1 | Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions | BRANDEIS UNIVERSITY (US) | 2008-09-18 | — | — | US | disclosed |