⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6727061 | 0.97 | — | — | |
| SCHEMBL4264516 | 0.88 | — | — | |
| SCHEMBL30220446 | 0.88 | — | — | |
| SCHEMBL27587177 | 0.85 | — | — | |
| SCHEMBL30791017 | 0.80 | NOS2 (0.31) | — | |
| SCHEMBL27262744 | 0.75 | — | — | |
| SCHEMBL718003 | 0.73 | — | — | |
| SCHEMBL8749211 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL28251285 | 0.67 | — | — | |
| SCHEMBL176040 | 0.65 | CHRM2 (0.39) | — |
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-104640858-A | Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | HOFFMANN LA ROCHE | 2015-05-20 | — | — | CN | disclosed |