⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2522757 | 0.79 | — | — | |
| SCHEMBL10180069 | 0.78 | — | — | |
| SCHEMBL9349229 | 0.75 | — | — | |
| SCHEMBL8505360 | 0.75 | — | — | |
| SCHEMBL8507034 | 0.75 | — | — | |
| SCHEMBL10053872 | 0.72 | HSD17B10 (0.31) | — | |
| SCHEMBL1886828 | 0.71 | — | — | |
| SCHEMBL6047503 | 0.70 | — | — | |
| SCHEMBL2525073 | 0.70 | — | — | |
| SCHEMBL29127743 | 0.69 | HSD17B10 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488493-B1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |
| US-8440710-B2 | HSL inhibitors useful in the treatment of diabetes | HOFFMANN-LA ROCHE INC. (US) | 2013-05-14 | — | — | US | disclosed |
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |
| US-20110092512-A1 | NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | US | disclosed |