⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19816456 | 0.76 | — | — | |
| SCHEMBL8624625 | 0.74 | — | — | |
| SCHEMBL103787 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL4453733 | 0.70 | — | — | |
| SCHEMBL211972 | 0.67 | — | — | |
| SCHEMBL4084767 | 0.67 | — | — | |
| SCHEMBL27369721 | 0.65 | — | — | |
| SCHEMBL819350 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL28822080 | 0.63 | — | — | |
| SCHEMBL992051 | 0.63 | — | — |
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-5681940-A | CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS | ICN PHARMACEUTICALS (US) | 1997-10-28 | — | — | US | disclosed |