⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15314577 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL12778963 | 0.73 | — | — | |
| SCHEMBL14492879 | 0.73 | — | — | |
| SCHEMBL18600353 | 0.72 | CHRM3 (0.39) | — | |
| SCHEMBL18600377 | 0.71 | — | — | |
| SCHEMBL15800363 | 0.71 | — | — | |
| SCHEMBL10760784 | 0.70 | MAOA (0.43) | — | |
| SCHEMBL6453856 | 0.68 | — | — | |
| SCHEMBL18600363 | 0.68 | — | — | |
| SCHEMBL14384999 | 0.65 | KDM4E (0.38) | — |
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-2017078352-A1 | CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASE COMPRISING THE SAME AS ACTIVE INGREDIENT | HYUNDAI PHARM CO., LTD. (KR) | 2017-05-11 | — | — | WO | disclosed |