⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL840154 | 0.86 | — | — | |
| SCHEMBL1110136 | 0.85 | — | — | |
| SCHEMBL3427593 | 0.76 | — | — | |
| SCHEMBL423123 | 0.76 | — | — | |
| SCHEMBL840809 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1457611 | 0.74 | — | — | |
| Iodide SCHEMBL4276568 | 0.74 | — | — | |
| SCHEMBL27719031 | 0.74 | — | — | |
| Bromide SCHEMBL4252203 | 0.74 | — | — | |
| Water SCHEMBL27896958 | 0.74 | — | — |
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-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-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 |