⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17709936 | 1.00 | — | — | |
| SCHEMBL16211558 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17709985 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17709982 | 0.97 | — | — | |
| SCHEMBL25145098 | 0.73 | — | — | |
| SCHEMBL20931137 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22288559 | 0.71 | — | — | |
| SCHEMBL9972650 | 0.69 | — | — | |
| SCHEMBL18583609 | 0.69 | — | — | |
| SCHEMBL13144672 | 0.69 | — | — |
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-3180332-A1 | DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS | Eolas Therapeutics Inc. (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016025669-A1 | DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS | EOLAS THERAPEUTICS, INC. (US) | 2016-02-18 | — | — | WO | disclosed |