⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1208278 | 0.82 | — | — | |
| SCHEMBL2555079 | 0.81 | — | — | |
| SCHEMBL2636758 | 0.81 | — | — | |
| SCHEMBL28033518 | 0.74 | — | — | |
| SCHEMBL28032857 | 0.74 | — | — | |
| SCHEMBL6141634 | 0.73 | — | — | |
| SCHEMBL4445312 | 0.72 | — | — | |
| SCHEMBL311015 | 0.71 | — | — | |
| SCHEMBL3126300 | 0.71 | — | — | |
| SCHEMBL8408706 | 0.71 | — | — |
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-104945663-A | Modified LDS addition agent and PEEK composition containing same | LIU SHUAI | 2015-09-30 | — | — | CN | disclosed |
| CN-104945662-A | Co-modified LDS annexing agent and PEEK composition containing co-modified LDS annexing agent | LIU SHUAI | 2015-09-30 | — | — | CN | disclosed |