⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1029955 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL319730 | 0.72 | — | — | |
| SCHEMBL4275376 | 0.72 | — | — | |
| SCHEMBL5834056 | 0.72 | — | — | |
| SCHEMBL17713129 | 0.71 | ALDH1A1 (0.31) | — | |
| Ethane SCHEMBL5833141 | 0.70 | — | — | |
| SCHEMBL319732 | 0.70 | — | — | |
| SCHEMBL1845521 | 0.68 | — | — | |
| SCHEMBL5833649 | 0.68 | — | — | |
| Ethylene SCHEMBL5834781 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541896-A | Caprolactamyl silane and preparation method thereof | GBXF SILICONES CO LTD | 2016-05-04 | — | — | CN | claimed |
| CN-105541896-A | Caprolactamyl silane and preparation method thereof | GBXF SILICONES CO LTD | 2016-05-04 | — | — | CN | disclosed |