⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18920651 | 1.00 | — | — | |
| SCHEMBL22043540 | 0.71 | — | — | |
| SCHEMBL12652725 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL21039897 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL21001974 | 0.59 | — | — | |
| SCHEMBL5696389 | 0.58 | — | — | |
| SCHEMBL1679775 | 0.58 | — | — | |
| SCHEMBL3989087 | 0.58 | — | — | |
| SCHEMBL25145223 | 0.57 | — | — | |
| SCHEMBL15934064 | 0.57 | MAPT (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017093351-A1 | CPLA2 INHIBITORS | Westfälische Wilhelms-Universität Münster (DE) | 2017-06-08 | — | — | WO | disclosed |