⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3380019 | 0.72 | — | — | |
| SCHEMBL4031294 | 0.72 | CA12 (0.41) | — | |
| SCHEMBL22224085 | 0.69 | — | — | |
| SCHEMBL3379617 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6508560 | 0.67 | — | — | |
| SCHEMBL16236760 | 0.67 | — | — | |
| SCHEMBL303817 | 0.65 | MEN1 (0.40) | — | |
| SCHEMBL2478796 | 0.65 | CA12 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7112852 | 0.63 | — | — | |
| SCHEMBL65000 | 0.62 | CYP1A2 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111423393-A | Synthetic method of seventeen-membered large cyclic lipopeptide natural compound | 北京大学深圳研究生院 | 2020-07-17 | — | — | CN | claimed |
| CN-114656449-A | Silibinin derivative containing carbamic acid structure and application thereof | 董金付 | 2022-06-24 | — | — | CN | disclosed |
| CN-111423393-A | Synthetic method of seventeen-membered large cyclic lipopeptide natural compound | 北京大学深圳研究生院 | 2020-07-17 | — | — | CN | disclosed |