⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21689948 | 1.00 | — | — | |
| SCHEMBL180344 | 1.00 | — | — | |
| Methane SCHEMBL28893836 | 0.97 | — | — | |
| SCHEMBL28785741 | 0.97 | — | — | |
| Water SCHEMBL11414438 | 0.97 | — | — | |
| SCHEMBL28862116 | 0.97 | — | — | |
| Ethylene SCHEMBL3909096 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL28789249 | 0.95 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL9485430 | 0.89 | SMN1; SMN2 (0.31) | — | |
| Acetic Acid SCHEMBL9394857 | 0.89 | CTRB1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115081-B2 | Synthetic process for aminocyclohexyl ether compounds | CARDIOME PHARMA CORP. (CA) | 2015-08-25 | — | — | US | disclosed |