⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3475481 | 0.86 | — | — | |
| SCHEMBL28615021 | 0.72 | — | — | |
| SCHEMBL28242989 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL4902402 | 0.69 | — | — | |
| SCHEMBL9326879 | 0.67 | — | — | |
| SCHEMBL27034900 | 0.65 | TSHR (0.43) | — | |
| SCHEMBL6232945 | 0.65 | — | — | |
| Propylamine SCHEMBL1330797 | 0.64 | — | — | |
| Propylamine SCHEMBL9181 | 0.64 | — | — | |
| Propylamine SCHEMBL448871 | 0.64 | — | — |
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-110092772-A | A kind of highly selective separation method of blueberry anthocyanin and separation material | 中检(大连)测试技术有限公司 | 2019-08-06 | — | — | CN | disclosed |