⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12640843 | 1.00 | — | — | |
| SCHEMBL19020687 | 0.90 | EPHX1 (0.44) | — | |
| SCHEMBL12719307 | 0.83 | — | — | |
| SCHEMBL25046642 | 0.81 | PAOX (0.35) | — | |
| SCHEMBL25919624 | 0.75 | CYP2C19 (0.48) | — | |
| SCHEMBL20171025 | 0.75 | EPHX1 (0.39) | — | |
| SCHEMBL28298892 | 0.75 | — | — | |
| SCHEMBL22679356 | 0.73 | PAOX (0.33) | — | |
| SCHEMBL20820746 | 0.73 | PAOX (0.41) | — | |
| SCHEMBL20327886 | 0.73 | PAOX (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140275074-A1 | HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-09-18 | — | — | US | disclosed |