⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28199971 | 0.81 | NOTUM (0.35) | — | |
| SCHEMBL5960577 | 0.70 | NOTUM (0.42) | — | |
| SCHEMBL4523261 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL149977 | 0.69 | — | — | |
| SCHEMBL826967 | 0.69 | TLR8 (0.37) | — | |
| SCHEMBL7689504 | 0.67 | NOTUM (0.35) | — | |
| SCHEMBL151413 | 0.66 | NPSR1 (0.61) | — | |
| SCHEMBL14427851 | 0.65 | NOTUM (0.38) | — | |
| SCHEMBL1613098 | 0.63 | CYP1A2 (0.31) | — | |
| SCHEMBL5015046 | 0.61 | ALDH1A1 (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-105916857-B | Pyrrolopyrrolone derivatives and its purposes as BET inhibitor | 诺华股份有限公司 | 2018-06-22 | — | — | CN | disclosed |