⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17495259 | 0.83 | — | — | |
| SCHEMBL28731360 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL23091592 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL23858920 | 0.71 | — | — | |
| SCHEMBL16211666 | 0.71 | — | — | |
| SCHEMBL17495270 | 0.69 | CA12 (0.42) | — | |
| SCHEMBL17495271 | 0.69 | CA12 (0.42) | — | |
| SCHEMBL25308075 | 0.66 | — | — | |
| SCHEMBL19437421 | 0.64 | CHRM2 (0.33) | — | |
| SCHEMBL20956750 | 0.64 | DPP4 (0.36) | — |
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 |