⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29876485 | 0.97 | — | — | |
| SCHEMBL27689255 | 0.97 | LMNA (0.38) | — | |
| SCHEMBL29876479 | 0.97 | — | — | |
| SCHEMBL28626359 | 0.90 | — | — | |
| SCHEMBL1047299 | 0.75 | LMNA (0.36) | — | |
| SCHEMBL28633105 | 0.74 | — | — | |
| SCHEMBL7557767 | 0.73 | — | — | |
| SCHEMBL7926003 | 0.72 | TSHR (0.53) | — | |
| SCHEMBL3670805 | 0.72 | TSHR (0.53) | — | |
| SCHEMBL9066931 | 0.72 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113185682-B | Modified copolyester and preparation method thereof | 中国石油化工股份有限公司 | 2022-08-12 | — | — | CN | claimed |
| CN-113185682-B | Modified copolyester and preparation method thereof | 中国石油化工股份有限公司 | 2022-08-12 | — | — | CN | disclosed |