⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26780 | 0.95 | — | — | |
| SCHEMBL28592280 | 0.95 | TSHR (0.43) | — | |
| Bromide SCHEMBL28395160 | 0.91 | — | — | |
| SCHEMBL8157567 | 0.91 | — | — | |
| SCHEMBL6656058 | 0.91 | — | — | |
| SCHEMBL23581661 | 0.91 | — | — | |
| SCHEMBL13386236 | 0.91 | — | — | |
| SCHEMBL8894073 | 0.91 | — | — | |
| SCHEMBL9277622 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9415908 | 0.87 | — | — |
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-5159023-A | FUNCTIONALIZED POLYMERS FROM METALLATED CRYSTALLINE COPOLYMERS OF ALPHA-OLEFINS WITH DIENES AND PROCESS FOR PREPARING SAME | HIMONT INCORPORATED (US) | 1992-10-27 | — | — | US | disclosed |