⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1117930 | 0.75 | MGLL (0.32) | — | |
| SCHEMBL840373 | 0.73 | — | — | |
| SCHEMBL13012568 | 0.65 | CYP2D6 (0.32) | — | |
| SCHEMBL840241 | 0.64 | — | — | |
| SCHEMBL21725597 | 0.61 | CYP2D6 (0.31) | — | |
| SCHEMBL15471353 | 0.61 | CYP2D6 (0.31) | — | |
| SCHEMBL9891842 | 0.61 | CYP2D6 (0.31) | — | |
| SCHEMBL12356619 | 0.60 | CYP2D6 (0.30) | — | |
| SCHEMBL23917941 | 0.59 | — | — | |
| SCHEMBL13012536 | 0.59 | CYP2D6 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |