⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10225137 | 0.79 | MC4R (0.31) | — | |
| SCHEMBL1109590 | 0.77 | — | — | |
| SCHEMBL840910 | 0.76 | — | — | |
| SCHEMBL1109593 | 0.76 | — | — | |
| SCHEMBL1109594 | 0.73 | — | — | |
| SCHEMBL9682854 | 0.70 | — | — | |
| SCHEMBL1102010 | 0.70 | — | — | |
| SCHEMBL575122 | 0.69 | — | — | |
| SCHEMBL9886121 | 0.66 | — | — | |
| SCHEMBL839911 | 0.65 | CYP2D6 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153793-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-7956082-B2 | Indole derivative having PGD2 receptor antagonist activity | SHIONOGI & CO., LTD (JP) | 2011-06-07 | — | — | US | disclosed |
| US-7842692-B2 | Azaindole derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2010-11-30 | — | — | US | disclosed |
| US-20090197881-A1 | Azaindole Derivative Having PGD2 Receptor Antagonistic Activity | SHIONOGI & CO., LTD. (JP) | 2009-08-06 | — | — | US | disclosed |
| US-20090105274-A1 | Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity | SHIONOGI & CO., LTD. (JP) | 2009-04-23 | — | — | US | disclosed |
| US-20090030014-A1 | Indole Derivative Having Pgd2 Receptor Antagonist Activity | SHIONOGI & CO., LTD. (JP) | 2009-01-29 | — | — | US | disclosed |