⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14725588 | 0.90 | — | — | |
| SCHEMBL14725590 | 0.70 | — | — | |
| SCHEMBL13403089 | 0.67 | RIPK1 (0.33) | — | |
| SCHEMBL12603383 | 0.67 | PAOX (0.31) | — | |
| SCHEMBL26483840 | 0.66 | EPHX1 (0.34) | — | |
| SCHEMBL26483870 | 0.66 | EPHX1 (0.34) | — | |
| SCHEMBL13253170 | 0.66 | — | — | |
| SCHEMBL12603384 | 0.66 | — | — | |
| SCHEMBL15042753 | 0.65 | — | — | |
| SCHEMBL19079656 | 0.63 | CNR2 (0.42) | — |
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-20170107513-A1 | MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) | BANK OF AMERICA, N.A. | 2017-04-20 | — | — | US | disclosed |