⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937496 | 0.89 | CRHR1 (0.31) | — | |
| SCHEMBL10503016 | 0.73 | — | — | |
| SCHEMBL7938941 | 0.71 | CDK1 (0.45) | — | |
| SCHEMBL29152865 | 0.70 | PDE4A (0.35) | — | |
| SCHEMBL10501912 | 0.68 | — | — | |
| SCHEMBL7679209 | 0.68 | PRKCI (0.36) | — | |
| SCHEMBL9821986 | 0.66 | CRHR1 (0.37) | — | |
| SCHEMBL9821919 | 0.66 | CRHR1 (0.37) | — | |
| SCHEMBL7930932 | 0.64 | SLC29A1 (0.47) | — | |
| SCHEMBL6227893 | 0.64 | ALDH1A1 (0.33) | — |
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-9643971-B2 | Breathing control modulating compounds, and methods of using same | GALLEON PHARMACEUTICALS, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-20160046635-A1 | NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME | GALLEON PHARMACEUTICALS, INC. | 2016-02-18 | — | — | US | disclosed |