⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28520803 | 0.66 | — | — | |
| Water SCHEMBL28533461 | 0.62 | — | — | |
| Water SCHEMBL28518656 | 0.62 | — | — | |
| SCHEMBL29699668 | 0.59 | — | — | |
| SCHEMBL14064987 | 0.56 | — | — | |
| Carbon Dioxide SCHEMBL22130336 | 0.48 | — | — | |
| SCHEMBL15284983 | 0.40 | — | — | |
| SCHEMBL31137671 | 0.40 | — | — | |
| SCHEMBL135172 | 0.40 | — | — | |
| SCHEMBL6545380 | 0.40 | — | — |
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-114075187-A | Carbonyl pyrazole anti-tumor compound and preparation method and application thereof | 山东大学 | 2022-02-22 | — | — | CN | disclosed |