⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5422012 | 1.00 | — | — | |
| SCHEMBL7295559 | 0.95 | TSHR (0.43) | — | |
| SCHEMBL6726226 | 0.84 | — | — | |
| SCHEMBL7641265 | 0.81 | — | — | |
| SCHEMBL7350161 | 0.78 | — | — | |
| SCHEMBL752055 | 0.75 | — | — | |
| SCHEMBL9502825 | 0.75 | — | — | |
| SCHEMBL8162817 | 0.75 | — | — | |
| SCHEMBL4481295 | 0.75 | — | — | |
| SCHEMBL7361160 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| CN-1091288-A | The oxytocin antagonist | OTSUKA PHARMA CO LTD (JP) | 1994-08-31 | — | — | CN | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |