⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3756371 | 0.62 | — | — | |
| SCHEMBL15064346 | 0.55 | — | — | |
| SCHEMBL220723 | 0.55 | — | — | |
| SCHEMBL1995763 | 0.50 | — | — | |
| SCHEMBL15399988 | 0.50 | — | — | |
| SCHEMBL767196 | 0.46 | — | — | |
| SCHEMBL12219421 | 0.44 | CCR8 (0.50) | — | |
| SCHEMBL10066089 | 0.27 | — | — | |
| SCHEMBL30900645 | 0.25 | — | — | |
| SCHEMBL6640735 | 0.25 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-6933317-B2 | PGD2 receptor antagonistic pharmaceutical compositions | SHIONOGI & CO. LTD. (JP) | 2005-08-23 | — | — | US | disclosed |
| US-20040054003-A1 | Pgd2 receptor antagonistic pharmaceutical compositions | SHIONGI & CO., LTD. (JP) | 2004-03-18 | — | — | US | disclosed |
| EP-1338594-A1 | PGD2 RECEPTOR ANTAGONISTIC PHARMACEUTICAL COMPOSITIONS | SHIONOGI & CO., LTD. (JP) | 2003-08-27 | — | — | EP | disclosed |