⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5933973 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL16796012 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL6882235 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL736990 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL4953851 | 0.76 | PTPN1 (0.31) | — | |
| SCHEMBL3851126 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL4762369 | 0.74 | — | — | |
| SCHEMBL16448454 | 0.74 | — | — | |
| SCHEMBL15013740 | 0.74 | CES2 (0.51) | — | |
| SCHEMBL13966480 | 0.74 | CES2 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2248866-B1 | FUNCTIONAL MATERIAL RELEASE AGENT | KAO CORP (JP) | 2013-04-03 | — | — | EP | claimed |
| CN-109568166-B | Fragrance materials | 宝洁公司 | 2022-01-28 | — | — | CN | disclosed |