⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30581644 | 0.88 | — | — | |
| SCHEMBL2558589 | 0.88 | — | — | |
| SCHEMBL11916151 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL9945930 | 0.73 | — | — | |
| SCHEMBL11916149 | 0.71 | SLC6A2 (0.38) | — | |
| SCHEMBL30581643 | 0.67 | TDP1 (0.31) | — | |
| SCHEMBL2557057 | 0.67 | TDP1 (0.31) | — | |
| SCHEMBL20149146 | 0.67 | ALOX5AP (0.31) | — | |
| SCHEMBL11916153 | 0.66 | RAPGEF4 (0.30) | — | |
| SCHEMBL2556180 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | US | disclosed |