⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1801482 | 0.72 | — | — | |
| SCHEMBL4317874 | 0.69 | — | — | |
| SCHEMBL387427 | 0.69 | — | — | |
| SCHEMBL330656 | 0.69 | — | — | |
| SCHEMBL15662625 | 0.67 | — | — | |
| SCHEMBL18499682 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL10598059 | 0.65 | — | — | |
| SCHEMBL6669063 | 0.65 | — | — | |
| SCHEMBL9864199 | 0.65 | — | — | |
| SCHEMBL10772851 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101969920-B | Parakeratosis inhibitor, pore shrinking agent or agent for preventing or improving rough skin, and composition for external use on the skin containing the same | SHISEIDO CO LTD | 2013-09-18 | — | — | CN | disclosed |
| CN-101969920-A | Parakeratosis inhibitor, pore shrinking agent or agent for preventing or improving rough skin, and composition for external use on the skin containing the same | SHISEIDO CO LTD | 2011-02-09 | — | — | CN | disclosed |
| US-20110004019-A1 | Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same | SHISEIDO COMPANY LTD. (JP) | 2011-01-06 | — | — | US | disclosed |
| EP-2255780-A1 | PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME | Shiseido Company, Ltd. (JP) | 2010-12-01 | — | — | EP | disclosed |