⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4602448 | 0.77 | — | — | |
| SCHEMBL2282242 | 0.77 | — | — | |
| SCHEMBL27613409 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL4742365 | 0.74 | — | — | |
| SCHEMBL1120302 | 0.74 | — | — | |
| SCHEMBL4654347 | 0.72 | — | — | |
| SCHEMBL21846953 | 0.72 | — | — | |
| SCHEMBL4654350 | 0.72 | — | — | |
| SCHEMBL20362867 | 0.72 | — | — | |
| SCHEMBL10399907 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0847380-A1 | MIXTURE OF ESTERS AND USE THEREOF | BP Chemicals Limited (GB) | 1998-06-17 | — | — | EP | claimed |
| WO-1998000387-A1 | MIXTURE OF ESTERS AND USE THEREOF | BP CHEMICALS LIMITED (GB) | 1998-01-08 | — | — | WO | claimed |
| EP-0854854-A1 | 2-SUBSTITUTED SUCCINATE ESTERS | BP Chemicals Limited (GB) | 1998-07-29 | — | — | EP | disclosed |
| WO-1998000388-A1 | 2-SUBSTITUTED SUCCINATE ESTERS | BP CHEMICALS LIMITED (GB) | 1998-01-08 | — | — | WO | disclosed |