⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27330982 | 0.69 | — | — | |
| SCHEMBL27477557 | 0.65 | NEK2 (0.30) | — | |
| SCHEMBL660010 | 0.65 | — | — | |
| SCHEMBL9288182 | 0.64 | — | — | |
| SCHEMBL8843243 | 0.62 | ALOX5 (0.37) | — | |
| SCHEMBL8713260 | 0.62 | — | — | |
| SCHEMBL3896059 | 0.60 | MAPT (0.30) | — | |
| SCHEMBL4972258 | 0.59 | ALOX5 (0.31) | — | |
| SCHEMBL6987008 | 0.59 | — | — | |
| SCHEMBL4970543 | 0.58 | PGR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103965147-B | Benzofuran derivatives | 武田药品工业株式会社 | 2016-08-24 | — | — | CN | disclosed |