⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4604007 | 0.89 | PRKCA (0.33) | — | |
| SCHEMBL4604011 | 0.84 | PRKCA (0.33) | — | |
| Acetamide SCHEMBL15323295 | 0.81 | PRKCA (0.31) | — | |
| SCHEMBL4651155 | 0.81 | — | — | |
| SCHEMBL4605186 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL4605190 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL4606281 | 0.79 | — | — | |
| SCHEMBL7681610 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL19410650 | 0.76 | USP2 (0.34) | — | |
| Acetone SCHEMBL2803668 | 0.75 | MAPT (0.35) | — |
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 |