⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11186166 | 0.78 | CHRM1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28600631 | 0.75 | CHRM1 (0.36) | — | |
| SCHEMBL10926607 | 0.67 | CA2 (0.38) | — | |
| SCHEMBL2417230 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL7112157 | 0.63 | HDAC1 (0.38) | — | |
| SCHEMBL16395637 | 0.63 | CHRM1 (0.40) | — | |
| SCHEMBL2139561 | 0.63 | MEN1 (0.39) | — | |
| SCHEMBL27964069 | 0.63 | TSHR (0.43) | — | |
| SCHEMBL718531 | 0.61 | — | — | |
| SCHEMBL1275888 | 0.61 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586638-B2 | Parakeratosis inhibitor and skin preparation for external use | SHISEIDO COMPANY, LTD (JP) | 2013-11-19 | — | — | US | disclosed |
| US-20120253064-A1 | PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE | SHISEIDO COMPANY, LTD. (JP) | 2012-10-04 | — | — | US | disclosed |
| EP-2491980-A2 | Parakeratosis inhibitor and skin preparation for external use | SHISEIDO COMPANY LIMITED (JP) | 2012-08-29 | — | — | EP | disclosed |
| EP-2491981-A2 | Parakeratosis inhibitor and external composition for skin | SHISEIDO COMPANY LIMITED (JP) | 2012-08-29 | — | — | EP | disclosed |
| US-20120053243-A1 | PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE | SHISEIDO COMPANY, LTD. (JP) | 2012-03-01 | — | — | US | disclosed |
| US-20070225380-A1 | Parakeratosis Inhibitor and Skin Preparation for External use | SHISEIDO COMPANY LTD. (JP) | 2007-09-27 | — | — | US | disclosed |
| EP-1688126-A1 | PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN | SHISEIDO COMPANY LIMITED (JP) | 2006-08-09 | — | — | EP | disclosed |