⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17700580 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL814013 | 0.91 | TSHR (0.35) | — | |
| SCHEMBL2013746 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL2591623 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL7650786 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL8658212 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL624026 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL3248403 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL19409322 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL13449068 | 0.74 | TSHR (0.31) | — |
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-5886118-A | ACTIVATING THE ADDITIONAL HOMO- OR COPOLYMERIZATION IN SOLVENT AND A METAL CATALYST WITH AN INITIATOR SELECTED FROM THE GROUP CONSISTING OF SULFONYL HALIDES, HALOPROPIONITRILES, MONOADDUCTS DERIVED FROM SULFONYL HALIDES AND ACRYLONITRILE | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-03-23 | — | — | US | disclosed |