⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1273677 | 0.73 | — | — | |
| SCHEMBL23625226 | 0.73 | KDM4E (0.44) | — | |
| SCHEMBL1274032 | 0.71 | — | — | |
| SCHEMBL1274693 | 0.71 | — | — | |
| SCHEMBL1273681 | 0.71 | — | — | |
| SCHEMBL34048 | 0.71 | — | — | |
| SCHEMBL29353771 | 0.71 | — | — | |
| Iodomethane SCHEMBL28605886 | 0.70 | NOS3 (0.54) | — | |
| Hydrochloric Acid SCHEMBL913230 | 0.69 | NOS3 (0.52) | — | |
| Hydrochloric Acid SCHEMBL30136813 | 0.69 | NOS3 (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2385042-B1 | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2015-11-25 | — | — | EP | disclosed |
| EP-1973886-B1 | PROKINETICIN 1 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2013-02-27 | — | — | EP | disclosed |
| EP-2385042-A1 | Prokineticin 1 receptor antagonists | Janssen Pharmaceutica N.V. (BE) | 2011-11-09 | — | — | EP | disclosed |
| US-8039028-B2 | Use of an extract of the orchid Vanda coerulea as a skin hydrating agent | LVMH REACHERCHE (FR) | 2011-10-18 | — | — | US | disclosed |