⚠ 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 | |
|---|---|---|---|---|
| Demannose SCHEMBL15323454 | 0.83 | USP2 (0.39) | — | |
| SCHEMBL13430949 | 0.82 | MPI (0.36) | — | |
| SCHEMBL426315 | 0.82 | MPI (0.36) | — | |
| SCHEMBL215097 | 0.82 | MPI (0.36) | — | |
| SCHEMBL2884877 | 0.82 | MPI (0.36) | — | |
| Propionic Acid SCHEMBL4606286 | 0.81 | LMNA (0.32) | — | |
| Gluconic Acid SCHEMBL11013679 | 0.80 | PDE4A (0.53) | — | |
| Butyric Acid SCHEMBL15324264 | 0.80 | KDM4E (0.31) | — | |
| Demannose SCHEMBL14248786 | 0.78 | LMNA (0.42) | — | |
| Demannose SCHEMBL15323248 | 0.78 | USP2 (0.42) | — |
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-2836832-A1 | EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA | Wayne State University (US) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013155458-A1 | EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA | WAYNE STATE UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |