⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14316664 | 1.00 | — | — | |
| SCHEMBL23912364 | 0.83 | SHBG (0.32) | — | |
| SCHEMBL22484287 | 0.81 | — | — | |
| SCHEMBL21917803 | 0.80 | SHBG (0.37) | — | |
| SCHEMBL3679675 | 0.80 | SHBG (0.37) | — | |
| SCHEMBL8840566 | 0.77 | SHBG (0.34) | — | |
| SCHEMBL25935950 | 0.77 | SHBG (0.34) | — | |
| SCHEMBL2404767 | 0.77 | SHBG (0.34) | — | |
| SCHEMBL8840477 | 0.77 | SHBG (0.34) | — | |
| SCHEMBL6883904 | 0.76 | SHBG (0.37) | — |
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-20170362191-A1 | Substituted Cyclohexylamine Compounds | Epizyme, Inc. (US) | 2017-12-21 | — | — | US | disclosed |