⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9567763 | 0.98 | — | — | |
| SCHEMBL9567793 | 0.79 | GABRR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9427265 | 0.68 | CHRM2 (0.32) | — | |
| SCHEMBL9571691 | 0.64 | SMYD3 (0.36) | — | |
| SCHEMBL9571689 | 0.64 | SMYD3 (0.36) | — | |
| SCHEMBL9571686 | 0.64 | SMYD3 (0.36) | — | |
| SCHEMBL1078014 | 0.64 | EPHX1 (0.39) | — | |
| SCHEMBL697519 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL9057735 | 0.63 | SMYD3 (0.35) | — | |
| SCHEMBL24495506 | 0.62 | — | — |
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-0538691-A1 | Substituted tetrahydrothiophenes, methods for their preparation, and their use in pharmaceutical compositions | BAYER AG (DE) | 1993-04-28 | — | — | EP | disclosed |