⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18524116 | 0.85 | — | — | |
| SCHEMBL18524415 | 0.78 | — | — | |
| SCHEMBL18524345 | 0.70 | — | — | |
| SCHEMBL30564264 | 0.70 | KDM1A (0.30) | — | |
| SCHEMBL17103960 | 0.70 | — | — | |
| SCHEMBL15056458 | 0.67 | KDM4E (0.45) | — | |
| SCHEMBL22787587 | 0.67 | — | — | |
| SCHEMBL29523100 | 0.67 | — | — | |
| SCHEMBL17103887 | 0.65 | HTR5A (0.35) | — | |
| SCHEMBL30024154 | 0.65 | HTR5A (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794563-B1 | HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-9255090-B2 | Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-02-09 | — | — | US | disclosed |
| US-20150252036-A1 | Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators | IDORSIA PHARMACEUTICALS LTD (CH) | 2015-09-10 | — | — | US | disclosed |
| EP-2794563-A1 | HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013093842-A1 | HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-06-27 | — | — | WO | disclosed |