⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466252 | 0.82 | FKBP5 (0.37) | — | |
| SCHEMBL3738807 | 0.74 | — | — | |
| SCHEMBL5570009 | 0.72 | — | — | |
| SCHEMBL10410273 | 0.71 | OTUD7B (0.36) | — | |
| SCHEMBL23869976 | 0.69 | METAP2 (0.31) | — | |
| SCHEMBL20525278 | 0.69 | METAP2 (0.44) | — | |
| SCHEMBL12191693 | 0.69 | — | — | |
| SCHEMBL22743988 | 0.69 | OTUD7B (0.33) | — | |
| SCHEMBL23794084 | 0.69 | METAP2 (0.31) | — | |
| SCHEMBL6127937 | 0.69 | — | — |
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-110337435-A | Barbituric acid derivatives comprising cation group and lipophilic group | 特罗姆瑟大学-挪威北极圈大学 | 2019-10-15 | — | — | CN | disclosed |