⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11025396 | 0.74 | MASP2 (0.35) | — | |
| SCHEMBL12426561 | 0.69 | — | — | |
| SCHEMBL12410800 | 0.65 | — | — | |
| SCHEMBL19214925 | 0.59 | ERBB2 (0.49) | — | |
| SCHEMBL840995 | 0.57 | IDO1 (0.37) | — | |
| SCHEMBL12565976 | 0.53 | — | — | |
| SCHEMBL12922239 | 0.51 | ALDH1A1 (0.31) | — | |
| SCHEMBL12904544 | 0.51 | — | — | |
| SCHEMBL4546376 | 0.51 | — | — | |
| SCHEMBL17705707 | 0.49 | GPR84 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725442-B2 | Heterocyclic derivative having PGD2 receptor antagonist activity | SHIONOGI & CO., LTD. (JP) | 2017-08-08 | — | — | US | disclosed |
| US-9440938-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20150158833-A1 | SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY | SHIONOGI & CO (JP) | 2015-06-11 | — | — | US | disclosed |
| US-20140275074-A1 | HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-18 | — | — | US | disclosed |
| 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-20090030014-A1 | Indole Derivative Having Pgd2 Receptor Antagonist Activity | SHIONOGI & CO., LTD. (JP) | 2009-01-29 | — | — | US | disclosed |