⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28371729 | 0.76 | — | — | |
| SCHEMBL177800 | 0.75 | — | — | |
| SCHEMBL6568109 | 0.74 | — | — | |
| SCHEMBL2080425 | 0.74 | — | — | |
| SCHEMBL8676219 | 0.71 | — | — | |
| SCHEMBL1697572 | 0.69 | — | — | |
| SCHEMBL14615805 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL28085769 | 0.69 | ECE1 (0.32) | — | |
| Isobutyramide SCHEMBL23610746 | 0.67 | — | — | |
| SCHEMBL650081 | 0.67 | — | — |
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-109206610-B | Multi-arm multi-claw polyethylene glycol derivative suitable for click chemical reaction | 北京键凯科技股份有限公司 | 2020-06-30 | — | — | CN | disclosed |