⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13678487 | 1.00 | — | — | |
| SCHEMBL6129612 | 0.75 | — | — | |
| SCHEMBL6129598 | 0.75 | — | — | |
| SCHEMBL2020488 | 0.72 | — | — | |
| SCHEMBL10902691 | 0.72 | — | — | |
| SCHEMBL12726662 | 0.72 | — | — | |
| SCHEMBL711121 | 0.72 | — | — | |
| SCHEMBL4665183 | 0.69 | — | — | |
| SCHEMBL4665180 | 0.69 | — | — | |
| SCHEMBL18595226 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0089576-B1 | 1,1-DIACYLOXY-3-ALKYL-4-HYDROXY-2 BUTENES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1985-07-10 | — | — | EP | disclosed |