⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17495254 | 0.83 | — | — | |
| SCHEMBL27232333 | 0.80 | — | — | |
| SCHEMBL26907015 | 0.80 | — | — | |
| SCHEMBL23858920 | 0.72 | — | — | |
| SCHEMBL16211666 | 0.72 | — | — | |
| SCHEMBL20399447 | 0.70 | POLB (0.35) | — | |
| SCHEMBL17495270 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL17495271 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL26907194 | 0.68 | — | — | |
| SCHEMBL27219708 | 0.67 | — | — |
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 |