⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9875863 | 1.00 | — | — | |
| SCHEMBL9874215 | 1.00 | — | — | |
| SCHEMBL9877871 | 0.89 | PRSS1 (0.30) | — | |
| SCHEMBL9877873 | 0.89 | PRSS1 (0.30) | — | |
| SCHEMBL24586795 | 0.73 | PRSS1 (0.38) | — | |
| SCHEMBL7776997 | 0.73 | PRSS1 (0.38) | — | |
| SCHEMBL7776998 | 0.73 | PRSS1 (0.38) | — | |
| SCHEMBL2034238 | 0.66 | — | — | |
| SCHEMBL24584682 | 0.62 | — | — | |
| SCHEMBL6688256 | 0.57 | ESR2 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-5043456-A | 6-oxa and thiabicyclo [3.1.0.] compounds | SHIONOGI & CO., LTD. (JP) | 1991-08-27 | — | — | 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 |