⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9638382 | 0.81 | — | — | |
| SCHEMBL10668483 | 0.81 | — | — | |
| SCHEMBL9637221 | 0.80 | THRB (0.32) | — | |
| SCHEMBL9494811 | 0.78 | NPC1 (0.30) | — | |
| SCHEMBL10613433 | 0.71 | — | — | |
| SCHEMBL9638135 | 0.69 | — | — | |
| SCHEMBL9637994 | 0.67 | — | — | |
| SCHEMBL10609059 | 0.67 | — | — | |
| SCHEMBL9729462 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL9636452 | 0.64 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0340247-B1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-04-28 | — | — | EP | disclosed |
| EP-0276653-B1 | Process for the preparation of esters of bicyclo[3.3.0]octane-3,7-dionecarboxylic acid | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-08-21 | — | — | EP | disclosed |
| EP-0340247-A1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS. | SCHERING AG (DE) | 1989-11-08 | — | — | EP | disclosed |
| WO-1988007050-A1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO[3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-09-22 | — | — | WO | disclosed |
| WO-1988005429-A1 | PROCESS FOR PRODUCING BICYCLO [3.3.0]OCTANE-3,7-DIONE-2 CARBOXYLIC ACID ESTERS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-07-28 | — | — | WO | disclosed |