⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4741973 | 0.72 | — | — | |
| SCHEMBL156442 | 0.68 | — | — | |
| SCHEMBL21554352 | 0.68 | — | — | |
| SCHEMBL4458175 | 0.67 | — | — | |
| SCHEMBL11301962 | 0.64 | TYR (0.52) | — | |
| SCHEMBL469465 | 0.61 | TYR (0.43) | — | |
| SCHEMBL702562 | 0.60 | — | — | |
| SCHEMBL15962395 | 0.58 | — | — | |
| SCHEMBL12641090 | 0.56 | — | — | |
| SCHEMBL2968795 | 0.56 | — | — |
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-4134901-A | MERCAPTO SUBSTITUTED THIOPHENE-ONES | LEVER BROTHERS COMPANY (US) | 1979-01-16 | — | — | US | disclosed |