⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2231256 | 1.00 | — | — | |
| SCHEMBL4411735 | 1.00 | — | — | |
| SCHEMBL18598932 | 1.00 | — | — | |
| SCHEMBL980075 | 1.00 | — | — | |
| SCHEMBL9706543 | 0.80 | — | — | |
| SCHEMBL13176647 | 0.79 | — | — | |
| SCHEMBL6299919 | 0.76 | POLB (0.30) | — | |
| SCHEMBL1318886 | 0.76 | — | — | |
| SCHEMBL19326370 | 0.75 | — | — | |
| SCHEMBL19321592 | 0.75 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014102280-A1 | A MICROBIAL ORGANISM FOR PRODUCING TEREPHTHALATE FROM BIOMASS | BIOCHEMTEX S.P.A. (IT) | 2014-07-03 | — | — | WO | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| EP-0466793-A1 | CYCLOHEXADIENEDIOLS AND THEIR USE | ENZYMATIX LTD. (GB) | 1992-01-22 | — | — | EP | disclosed |
| WO-1990012798-A2 | CYCLOHEXADIENEDIOLS AND THEIR USE | ENZYMATIX LTD. (GB) | 1990-11-01 | — | — | WO | disclosed |