⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7289495 | 1.00 | — | — | |
| SCHEMBL476031 | 0.82 | — | — | |
| SCHEMBL476030 | 0.82 | — | — | |
| SCHEMBL7285435 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL7285432 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL7353884 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL7353882 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL7292339 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL93753 | 0.74 | — | — | |
| SCHEMBL6481787 | 0.74 | — | — |
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-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 |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0002210-A1 | 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds | MERCK & CO. INC. (US) | 1979-06-13 | — | — | EP | disclosed |