⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22230647 | 0.72 | — | — | |
| SCHEMBL22083911 | 0.69 | — | — | |
| SCHEMBL21863589 | 0.69 | — | — | |
| SCHEMBL24131510 | 0.68 | — | — | |
| SCHEMBL21285317 | 0.68 | — | — | |
| SCHEMBL17624316 | 0.68 | — | — | |
| SCHEMBL3161603 | 0.68 | — | — | |
| SCHEMBL2067300 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL11471301 | 0.67 | — | — | |
| SCHEMBL12806968 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590944-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004722-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-01-12 | — | — | WO | disclosed |