⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28397222 | 0.80 | — | — | |
| SCHEMBL301923 | 0.76 | — | — | |
| SCHEMBL301922 | 0.76 | — | — | |
| SCHEMBL15336501 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9425321 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9425326 | 0.74 | — | — | |
| SCHEMBL14922373 | 0.71 | CHRM2 (0.34) | — | |
| SCHEMBL13130688 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL12465180 | 0.70 | — | — | |
| SCHEMBL30397513 | 0.69 | CHRM2 (0.32) | — |
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 2 patents. 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 |
| EP-3138834-A1 | CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT | Hyundai Pharm Co., Ltd. (KR) | 2017-03-08 | — | — | EP | disclosed |