⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6152574 | 0.87 | SYK (0.35) | — | |
| SCHEMBL6153084 | 0.85 | CYP2C9 (0.36) | — | |
| SCHEMBL6291829 | 0.78 | JAK2 (0.40) | — | |
| SCHEMBL6152278 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL5778573 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL5775901 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL5775180 | 0.71 | HCRTR1 (0.31) | — | |
| SCHEMBL6288883 | 0.71 | SLC26A6 (0.37) | — | |
| SCHEMBL5777951 | 0.70 | HTR6 (0.38) | — | |
| SCHEMBL6152993 | 0.68 | NPC1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1406610-B1 | USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2005-01-26 | — | — | EP | claimed |
| US-6943181-B2 | Use of substituted gamma-lactone compounds as pharmaceutical preparations | GRUNENTHAL GMBH (DE) | 2005-09-13 | — | — | US | disclosed |