⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6166376 | 0.64 | — | — | |
| SCHEMBL6166653 | 0.60 | — | — | |
| SCHEMBL22879288 | 0.57 | — | — | |
| SCHEMBL14007006 | 0.57 | — | — | |
| SCHEMBL6166380 | 0.57 | — | — | |
| SCHEMBL12475866 | 0.56 | — | — | |
| SCHEMBL12923767 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL15311920 | 0.55 | DRD3 (0.30) | — | |
| SCHEMBL15067559 | 0.54 | DRD2 (0.30) | — | |
| SCHEMBL847209 | 0.53 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349829-B2 | [4-(1-amino-ethyl)-cyclohexyl]-methyl-amine and [6-(1-amino-ethyl)-tetrahydro-pyran-3-yl]-methyl-amine derivatives as antibacterials | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-01-08 | — | — | US | disclosed |
| US-20110082132-A1 | [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-04-07 | — | — | US | disclosed |