⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1659301 | 1.00 | — | — | |
| SCHEMBL9633951 | 0.84 | — | — | |
| SCHEMBL1659298 | 0.84 | — | — | |
| SCHEMBL9325916 | 0.84 | — | — | |
| SCHEMBL791134 | 0.72 | — | — | |
| SCHEMBL717556 | 0.72 | — | — | |
| SCHEMBL8028662 | 0.72 | — | — | |
| SCHEMBL9613578 | 0.70 | — | — | |
| SCHEMBL12945064 | 0.70 | — | — | |
| Cyclohexane SCHEMBL8177759 | 0.70 | KMT2A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |
| US-8163938-B2 | Aminocyclohexyl ether compounds and uses thereof | CARDIOME PHARMA CORP. (CA) | 2012-04-24 | — | — | US | disclosed |
| US-20110004006-A1 | AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF | CARDIOME PHARMA CORP. (CA) | 2011-01-06 | — | — | US | disclosed |
| WO-2010015965-A2 | METHODS AND COMPOSITIONS FOR TREATING NEURONAL DAMAGE AND MODULATING TRANSIENT RECEPTOR POTENTIAL CHANNELS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2010-02-11 | — | — | WO | disclosed |