⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8637688 | 0.88 | — | — | |
| SCHEMBL25316767 | 0.82 | NFKB1 (0.33) | — | |
| SCHEMBL13984346 | 0.81 | — | — | |
| SCHEMBL13310249 | 0.80 | NFKB1 (0.32) | — | |
| SCHEMBL181462 | 0.78 | — | — | |
| SCHEMBL19529462 | 0.74 | — | — | |
| SCHEMBL30931436 | 0.71 | DNM1 (0.44) | — | |
| SCHEMBL222728 | 0.71 | — | — | |
| SCHEMBL23621173 | 0.71 | — | — | |
| SCHEMBL22755636 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108368232-B | Polyurethane compositions with low plasticizer migration | SIKA技术股份公司 | 2021-07-30 | — | — | CN | disclosed |