⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8434316 | 0.95 | — | — | |
| SCHEMBL22654233 | 0.89 | — | — | |
| SCHEMBL106941 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL1474044 | 0.86 | TSHR (0.36) | — | |
| SCHEMBL28434569 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL28329664 | 0.85 | — | — | |
| SCHEMBL130681 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL128541 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL1472049 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL1473816 | 0.82 | TSHR (0.36) | — |
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-5859123-A | ONE-PACKAGE PAINTS; PREPARED BY POLYMERIZING A FLUOROOLEFIN, AN ORGANOSILICON COMPOUND, AN UNSATURATED CARBOXYLIC ACID, AND A COPOLYMERIZABLE MONOMER | CENTRAL GLASS COMPANY, LIMITED (JP) | 1999-01-12 | — | — | US | disclosed |