⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6267385 | 0.82 | — | — | |
| SCHEMBL222782 | 0.82 | — | — | |
| SCHEMBL18011847 | 0.82 | — | — | |
| SCHEMBL15814397 | 0.67 | — | — | |
| SCHEMBL3125937 | 0.67 | — | — | |
| SCHEMBL23644716 | 0.67 | — | — | |
| SCHEMBL11501269 | 0.67 | — | — | |
| SCHEMBL9121229 | 0.67 | — | — | |
| Water SCHEMBL6002830 | 0.67 | — | — | |
| Water SCHEMBL4324053 | 0.67 | — | — |
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-5239121-A | Process for the preparation of 2-aryl-1,3-propanediols | GANES CHEMICALS INC. (US) | 1993-08-24 | — | — | US | claimed |
| US-20100113435-A1 | INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 | BIOVITRUM AB | 2010-05-06 | — | — | US | disclosed |
| US-7618961-B2 | Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 | BIOVITRUM AB (SE) | 2009-11-17 | — | — | US | disclosed |
| US-20040224996-A1 | Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 | BIOVITRUM AB (SE) | 2004-11-11 | — | — | US | disclosed |