⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10609059 | 1.00 | — | — | |
| SCHEMBL9638058 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL9638135 | 0.74 | — | — | |
| SCHEMBL9495091 | 0.67 | — | — | |
| SCHEMBL9729758 | 0.67 | BRD4 (0.34) | — | |
| SCHEMBL9484967 | 0.67 | BRD4 (0.34) | — | |
| SCHEMBL9484972 | 0.67 | BRD4 (0.34) | — | |
| SCHEMBL9636449 | 0.66 | — | — | |
| SCHEMBL9637857 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL11238773 | 0.64 | MEN1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272201-B1 | STEREOSPECIFIC KETOREDUCTION OF BICYCLOOCTANEDIONE-CARBOXYLIC-ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-07-08 | — | — | EP | disclosed |
| EP-0272201-A1 | Stereospecific ketoreduction of bicyclooctanedione-carboxylic-acid esters by microorganisms | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-06-22 | — | — | EP | disclosed |
| WO-1988003568-A1 | STEREOSPECIFIC KETO-REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-05-19 | — | — | WO | disclosed |