⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9014198 | 0.66 | — | — | |
| SCHEMBL910250 | 0.59 | — | — | |
| SCHEMBL2797217 | 0.55 | — | — | |
| SCHEMBL11054232 | 0.53 | — | — | |
| SCHEMBL5194158 | 0.49 | — | — | |
| SCHEMBL9584717 | 0.48 | — | — | |
| SCHEMBL1238982 | 0.47 | — | — | |
| SCHEMBL6160898 | 0.42 | — | — | |
| SCHEMBL14639748 | 0.42 | — | — | |
| SCHEMBL9276722 | 0.40 | — | — |
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-4344956-A | Oxotetrahydrothiophenes | ERCOLI NICOLO | 1982-08-17 | — | — | US | disclosed |