⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18722155 | 0.75 | EPHX1 (0.31) | — | |
| SCHEMBL8295314 | 0.74 | — | — | |
| SCHEMBL19303353 | 0.74 | USP2 (0.35) | — | |
| SCHEMBL272174 | 0.73 | — | — | |
| SCHEMBL29055426 | 0.71 | — | — | |
| SCHEMBL13148688 | 0.71 | — | — | |
| SCHEMBL868382 | 0.71 | — | — | |
| SCHEMBL322841 | 0.71 | — | — | |
| SCHEMBL10045692 | 0.69 | — | — | |
| SCHEMBL10203505 | 0.69 | — | — |
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-2011043817-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2011-04-14 | — | — | WO | disclosed |