⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478712 | 1.00 | — | — | |
| SCHEMBL9188953 | 0.87 | HTR2A (0.48) | — | |
| SCHEMBL9188946 | 0.87 | HTR2A (0.48) | — | |
| SCHEMBL4303596 | 0.79 | — | — | |
| SCHEMBL27454887 | 0.79 | HTR2A (0.43) | — | |
| SCHEMBL21847765 | 0.79 | HTR2A (0.43) | — | |
| SCHEMBL14643262 | 0.78 | GRIK1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8722852 | 0.76 | GRIK1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8722849 | 0.76 | GRIK1 (0.38) | — | |
| SCHEMBL57553 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114341344-A | Engineered microorganisms and methods for improving aldehyde dehydrogenase activity | 基因组股份公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-114269908-A | Engineered trans-enoyl COA reductase and preparation method and using method thereof | 基因组股份公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-0421441-B1 | Pantothenic acid derivatives | FUJIREBIO KK (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5120738-A | Cardiovascular disorders | FUJIREBIO INC. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0421441-A2 | Pantothenic acid derivatives | FUJIREBIO INC. (JP) | 1991-04-10 | — | — | EP | disclosed |