⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12690106 | 0.71 | — | — | |
| SCHEMBL1056990 | 0.60 | — | — | |
| SCHEMBL23622153 | 0.58 | — | — | |
| SCHEMBL28143633 | 0.56 | — | — | |
| SCHEMBL2067261 | 0.56 | — | — | |
| SCHEMBL1521919 | 0.56 | — | — | |
| SCHEMBL3130807 | 0.56 | — | — | |
| SCHEMBL2067881 | 0.52 | — | — | |
| SCHEMBL23622247 | 0.52 | — | — | |
| SCHEMBL5801459 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018078009-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |