⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19070179 | 0.83 | — | — | |
| SCHEMBL16573815 | 0.79 | — | — | |
| SCHEMBL17052868 | 0.79 | — | — | |
| SCHEMBL21195987 | 0.79 | — | — | |
| SCHEMBL21195983 | 0.79 | — | — | |
| SCHEMBL17972967 | 0.79 | — | — | |
| SCHEMBL18821693 | 0.78 | DRD4 (0.33) | — | |
| SCHEMBL21859845 | 0.77 | DRD4 (0.31) | — | |
| SCHEMBL21216310 | 0.77 | — | — | |
| SCHEMBL21860333 | 0.76 | ALOX15 (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 |
|---|---|---|---|---|---|---|---|
| EP-3138834-B1 | CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT | HYUNDAI PHARM CO LTD (KR) | 2020-03-04 | — | — | EP | disclosed |