⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL209750 | 0.70 | — | — | |
| SCHEMBL2231348 | 0.69 | — | — | |
| SCHEMBL228006 | 0.67 | — | — | |
| SCHEMBL8088108 | 0.67 | — | — | |
| SCHEMBL225591 | 0.65 | — | — | |
| SCHEMBL9845135 | 0.62 | — | — | |
| SCHEMBL3153785 | 0.62 | — | — | |
| SCHEMBL16497339 | 0.61 | — | — | |
| SCHEMBL16497312 | 0.61 | CA1 (0.31) | — | |
| SCHEMBL16497413 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040014840-A1 | Rubber compositions and methods for improving scorch safety and hysteretic properties of the compositions | UNIROYAL CHEMICAL COMPANY | 2004-01-22 | — | — | US | claimed |
| WO-2004007606-A1 | RUBBER COMPOSITIONS AND METHODS FOR IMPROVING SCORCH SAFETY AND HYSTERETIC PROPERTIES OF THE COMPOSITIONS | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2004-01-22 | — | — | WO | disclosed |
| US-20040014840-A1 | Rubber compositions and methods for improving scorch safety and hysteretic properties of the compositions | UNIROYAL CHEMICAL COMPANY | 2004-01-22 | — | — | US | disclosed |
| US-4556724-A | Method for the preparation of mercapto alkyl silanes | DYNAMIT NOBEL AG (DE) | 1985-12-03 | — | — | US | disclosed |