⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453700 | 0.87 | — | — | |
| SCHEMBL28547820 | 0.87 | — | — | |
| SCHEMBL28103217 | 0.87 | — | — | |
| SCHEMBL2319497 | 0.87 | — | — | |
| SCHEMBL28769563 | 0.87 | — | — | |
| SCHEMBL25301997 | 0.75 | — | — | |
| SCHEMBL31106424 | 0.75 | — | — | |
| SCHEMBL1604640 | 0.75 | — | — | |
| SCHEMBL453443 | 0.75 | — | — | |
| SCHEMBL4530969 | 0.75 | — | — |
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-115033942-A | Mortar lining wall thickness design method, pipeline repair method and device | 中国长江三峡集团有限公司 | 2022-09-09 | — | — | CN | disclosed |