⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873800 | 0.96 | — | — | |
| SCHEMBL8572475 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL18189711 | 0.92 | TP53 (0.35) | — | |
| SCHEMBL3725235 | 0.80 | — | — | |
| SCHEMBL2306971 | 0.80 | — | — | |
| SCHEMBL27935869 | 0.75 | — | — | |
| SCHEMBL27339 | 0.75 | — | — | |
| SCHEMBL2931616 | 0.75 | — | — | |
| SCHEMBL15388812 | 0.75 | — | — | |
| SCHEMBL3923253 | 0.75 | — | — |
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-109761898-A | A kind of double target spot inhibitor and its preparation method and application | 青岛大学 | 2019-05-17 | — | — | CN | disclosed |