⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27313956 | 0.81 | — | — | |
| SCHEMBL11121230 | 0.75 | — | — | |
| SCHEMBL10986946 | 0.74 | — | — | |
| SCHEMBL11326111 | 0.73 | — | — | |
| SCHEMBL1566338 | 0.73 | — | — | |
| SCHEMBL1801698 | 0.73 | — | — | |
| SCHEMBL11172833 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL27486531 | 0.71 | — | — | |
| SCHEMBL16552892 | 0.71 | — | — | |
| SCHEMBL23440796 | 0.69 | — | — |
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-4976891-A | Antithrombotic, antivasoconstricting, antibronchoconstricting | SHIONOGI & CO., LTD. (JP) | 1990-12-11 | — | — | US | claimed |
| US-4861913-A | Bicyclic sulfonamide derivatives | SHIONOGI & CO., LTD. (JP) | 1989-08-29 | — | — | US | claimed |
| US-5043456-A | 6-oxa and thiabicyclo [3.1.0.] compounds | SHIONOGI & CO., LTD. (JP) | 1991-08-27 | — | — | US | disclosed |
| US-5043451-A | Bicyclo (2.2.1.) hept-exo-2-yl and bicyclo (2.2.2.) oct-endo-2-yl compounds | SHIONOGI & CO., LTD. (JP) | 1991-08-27 | — | — | US | disclosed |
| US-5041635-A | 5(Z)-7-(endo-3-benzenesulfonamidobicyclo[2.2.1]hept-exo-2-yl)-5-heptenoic acid, sodium salt | SHIONOGI & CO., LTD. (JP) | 1991-08-20 | — | — | US | disclosed |
| EP-0226346-B1 | BICYCLIC SULFONAMIDE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1991-08-14 | — | — | EP | disclosed |
| US-4976891-A | Antithrombotic, antivasoconstricting, antibronchoconstricting | SHIONOGI & CO., LTD. (JP) | 1990-12-11 | — | — | US | disclosed |
| US-4960909-A | ANTICOAGULANTS; VASODILATORS; BRONCHODILATOR AGENTS | SHIONOGI & CO., LTD. (JP) | 1990-10-02 | — | — | US | disclosed |
| US-4861913-A | Bicyclic sulfonamide derivatives | SHIONOGI & CO., LTD. (JP) | 1989-08-29 | — | — | US | disclosed |
| EP-0226346-A1 | Bicyclic sulfonamide derivatives | SHIONOGI & CO., LTD. (JP) | 1987-06-24 | — | — | EP | disclosed |