⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14227024 | 0.81 | GRIK1 (0.41) | — | |
| SCHEMBL14227026 | 0.81 | GRIK1 (0.41) | — | |
| SCHEMBL24296090 | 0.81 | GRIK1 (0.41) | — | |
| SCHEMBL13979544 | 0.77 | GRIK1 (0.53) | — | |
| SCHEMBL16204243 | 0.77 | — | — | |
| SCHEMBL13176684 | 0.77 | — | — | |
| SCHEMBL26537599 | 0.77 | — | — | |
| SCHEMBL4472181 | 0.76 | — | — | |
| SCHEMBL4291341 | 0.76 | — | — | |
| SCHEMBL468961 | 0.76 | — | — |
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-20230358732-A1 | METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES | UNIVERSITY OF OTTAWA (CA) | 2023-11-09 | — | — | US | disclosed |
| US-20100144655-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-06-10 | — | — | US | disclosed |
| EP-1893767-A1 | PROCESS FOR PRODUCING ATORVASTATIN, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES THEREOF | Pfizer, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134482-A1 | PROCESS FOR PRODUCING ATORVASTATIN, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES THEREOF | PFIZER INC. (US) | 2006-12-21 | — | — | WO | disclosed |