⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7612 | 0.96 | — | — | |
| SCHEMBL5149931 | 0.96 | — | — | |
| SCHEMBL27523976 | 0.96 | PARP1 (0.30) | — | |
| Benzene SCHEMBL27557066 | 0.94 | PARP1 (0.32) | — | |
| SCHEMBL2132650 | 0.93 | — | — | |
| Water SCHEMBL18642501 | 0.93 | — | — | |
| SCHEMBL17629394 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL2792297 | 0.93 | — | — | |
| SCHEMBL32681392 | 0.93 | — | — | |
| SCHEMBL12501828 | 0.93 | — | — |
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-111393359-A | Pyridine salt-containing N- (cinnamoyl) -N' - (substituted) propyl hydrazide compound and preparation method and application thereof | 贵州大学 | 2020-07-10 | — | — | CN | disclosed |