⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18885905 | 0.83 | BCL2 (0.31) | — | |
| SCHEMBL11213420 | 0.82 | DPP4 (0.34) | — | |
| SCHEMBL12599608 | 0.81 | — | — | |
| SCHEMBL26382424 | 0.81 | — | — | |
| SCHEMBL9945872 | 0.80 | CA1 (0.31) | — | |
| SCHEMBL15412128 | 0.79 | — | — | |
| SCHEMBL21737181 | 0.77 | PDE3B (0.37) | — | |
| SCHEMBL18882779 | 0.76 | DPP4 (0.33) | — | |
| SCHEMBL20223463 | 0.76 | BCL2 (0.33) | — | |
| SCHEMBL11415512 | 0.76 | HDAC1 (0.37) | — |
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 |