⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2561181 | 0.89 | — | — | |
| SCHEMBL1157805 | 0.86 | — | — | |
| SCHEMBL106535 | 0.84 | — | — | |
| SCHEMBL15627116 | 0.79 | — | — | |
| SCHEMBL210132 | 0.79 | — | — | |
| SCHEMBL29236339 | 0.79 | — | — | |
| SCHEMBL19809335 | 0.78 | — | — | |
| SCHEMBL707266 | 0.78 | — | — | |
| SCHEMBL18478168 | 0.77 | — | — | |
| SCHEMBL308393 | 0.77 | — | — |
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-3997581-A | BONDING AGENTS IN SULFUR VULCANIZABLE RUBBERS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-12-14 | — | — | US | disclosed |