⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6709749 | 0.88 | — | — | |
| SCHEMBL11552375 | 0.83 | SQLE (0.52) | — | |
| SCHEMBL11552377 | 0.83 | SQLE (0.52) | — | |
| SCHEMBL21899802 | 0.80 | MAPT (0.31) | — | |
| SCHEMBL31528788 | 0.78 | LMNA (0.43) | — | |
| SCHEMBL3243979 | 0.78 | — | — | |
| SCHEMBL23754413 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL23754414 | 0.77 | LMNA (0.42) | — | |
| Ethylene Glycol SCHEMBL9246579 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL8024774 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8481061-B2 | Cosmetic composition | SHISEIDO COMPANY, LTD. (JP) | 2013-07-09 | — | — | US | disclosed |
| US-20070041919-A1 | Cosmetic composition | SHISEIDO COMPANY, LTD. (JP) | 2007-02-22 | — | — | US | disclosed |