⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10211115 | 0.86 | — | — | |
| SCHEMBL1119930 | 0.75 | — | — | |
| SCHEMBL2038500 | 0.75 | — | — | |
| SCHEMBL13064874 | 0.71 | MCOLN3 (0.31) | — | |
| SCHEMBL23239882 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL6589743 | 0.67 | — | — | |
| SCHEMBL1119924 | 0.65 | — | — | |
| SCHEMBL1109600 | 0.64 | — | — | |
| SCHEMBL14573053 | 0.64 | CARM1 (0.44) | — | |
| SCHEMBL256934 | 0.62 | — | — |
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-8623903-B2 | Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2014-01-07 | — | — | US | disclosed |
| US-20120142687-A1 | INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY | KUGIMIYA AKIRA (JP) | 2012-06-07 | — | — | US | disclosed |
| US-8153793-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20090105274-A1 | Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity | SHIONOGI & CO., LTD. (JP) | 2009-04-23 | — | — | US | disclosed |
| US-7304052-B2 | Substituted homopiperidinyl benzimidazole analogues as fundic relaxants | JANSSEN PHARMACEUITCA N.V. (BE) | 2007-12-04 | — | — | US | disclosed |