⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11691480 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28264794 | 0.98 | TSHR (0.35) | — | |
| Beta-Alanine SCHEMBL3199411 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL18579868 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL5605327 | 0.81 | CA14 (0.42) | — | |
| SCHEMBL30998824 | 0.81 | CA14 (0.42) | — | |
| SCHEMBL253527 | 0.80 | — | — | |
| SCHEMBL905194 | 0.80 | — | — | |
| SCHEMBL725364 | 0.80 | — | — | |
| Water SCHEMBL23295864 | 0.78 | ALDH1A1 (0.37) | — |
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 8 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 |
| EP-1880711-A1 | PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN | Shiseido Company, Limited (JP) | 2008-01-23 | — | — | EP | disclosed |
| JP-2007230967-A | METHOD FOR PRODUCTION OF ALKYLAMINO PROPRIONIC AMIDE DERIVATIVE | KOHJIN CO LTD | 2007-09-13 | — | — | JP | disclosed |
| US-4025651-A | N-substituted-aminoacetamides used as fungicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-05-24 | — | — | US | disclosed |