⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441929 | 1.00 | — | — | |
| SCHEMBL441928 | 1.00 | — | — | |
| SCHEMBL2429313 | 0.90 | TSHR (0.30) | — | |
| SCHEMBL2429315 | 0.90 | TSHR (0.30) | — | |
| SCHEMBL11866988 | 0.83 | — | — | |
| SCHEMBL11866994 | 0.83 | — | — | |
| SCHEMBL5694823 | 0.81 | — | — | |
| SCHEMBL648486 | 0.81 | — | — | |
| Acetonitrile SCHEMBL28546060 | 0.79 | — | — | |
| SCHEMBL120 | 0.79 | — | — |
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-5064921-A | HYDROXY FUNCTIONAL COPOLYMERS, A PROCESS FOR THE PREPARATION AND THEIR USE AS BINDERS OR BINDER COMPONENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-12 | — | — | US | disclosed |