⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9629177 | 1.00 | — | — | |
| SCHEMBL1162619 | 0.70 | — | — | |
| SCHEMBL8776016 | 0.65 | CYP2A6 (0.36) | — | |
| SCHEMBL205284 | 0.65 | — | — | |
| SCHEMBL9148625 | 0.65 | CYP2A6 (0.36) | — | |
| SCHEMBL29767688 | 0.65 | CYP2A6 (0.36) | — | |
| SCHEMBL237481 | 0.65 | — | — | |
| SCHEMBL8058639 | 0.65 | CYP2A6 (0.36) | — | |
| SCHEMBL21151025 | 0.58 | GAA (0.43) | — | |
| SCHEMBL102781 | 0.57 | MEN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5136049-A | Reacting a heterocyclic-containing ketone, aldehyde, acyl halide or ester and 3-sulfolane, 1,3-dihydrobenzothiophene, naphtho(2,3-c)furan or thiophene or phenanthra(9,10-c)furan or thiophene | WACKER-CHEMIE GMBH (DE) | 1992-08-04 | — | — | US | disclosed |