⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3259741 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL3261465 | 0.82 | FAAH (0.31) | — | |
| SCHEMBL3262227 | 0.80 | PHF8 (0.31) | — | |
| SCHEMBL3260643 | 0.80 | — | — | |
| SCHEMBL3261780 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL3260084 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL3263713 | 0.76 | PAOX (0.33) | — | |
| SCHEMBL3259602 | 0.76 | GABRR1 (0.34) | — | |
| SCHEMBL3261258 | 0.75 | — | — | |
| SCHEMBL3261027 | 0.75 | ALDH1A1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8937090-B2 | Parakeratosis inhibitor, pore-shrinking agent and external composition for skin | SHISEIDO COMPANY, LTD. (JP) | 2015-01-20 | — | — | US | disclosed |
| US-20120232111-A1 | Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin | SHISEIDO COMPANY, LTD. (JP) | 2012-09-13 | — | — | US | disclosed |
| US-20120165409-A1 | WRINKLE-IMPROVING AGENT | SHISEIDO COMPANY, LTD. (JP) | 2012-06-28 | — | — | US | disclosed |
| US-20100035881-A1 | WRINKLE-IMPROVING AGENT | SHISEIDO COMPANY, LTD. (JP) | 2010-02-11 | — | — | US | disclosed |
| EP-1941861-A1 | WRINKLE-IMPROVING AGENT | Shiseido Company, Limited (JP) | 2008-07-09 | — | — | EP | disclosed |