⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23364789 | 0.79 | BACE1 (0.34) | — | |
| SCHEMBL1448551 | 0.74 | — | — | |
| SCHEMBL7700874 | 0.67 | HSD11B1 (0.31) | — | |
| SCHEMBL2753129 | 0.66 | DRD2 (0.32) | — | |
| SCHEMBL18096327 | 0.65 | BACE1 (0.31) | — | |
| SCHEMBL3803489 | 0.65 | BACE1 (0.40) | — | |
| SCHEMBL202259 | 0.65 | BACE1 (0.32) | — | |
| SCHEMBL4852646 | 0.64 | DRD2 (0.32) | — | |
| SCHEMBL31570424 | 0.64 | BACE1 (0.30) | — | |
| SCHEMBL18647525 | 0.64 | DRD2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3141541-A1 | CYCLOHEXYL-PYRIDINE DERIVATIVE | Kissei Pharmaceutical Co., Ltd. (JP) | 2017-03-15 | — | — | EP | disclosed |