⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1412505 | 0.67 | — | — | |
| SCHEMBL439367 | 0.67 | CES2 (0.37) | — | |
| SCHEMBL27510380 | 0.65 | — | — | |
| SCHEMBL94415 | 0.65 | — | — | |
| Butyramide SCHEMBL8433653 | 0.62 | — | — | |
| SCHEMBL14503602 | 0.62 | — | — | |
| SCHEMBL2374484 | 0.62 | — | — | |
| SCHEMBL3239168 | 0.62 | — | — | |
| SCHEMBL813510 | 0.60 | — | — | |
| Butyramide SCHEMBL5681 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106317099-A | Aminoalkylalkoxydisiloxane compound and method for preparing the same | 信越化学工业株式会社 | 2017-01-11 | — | — | CN | disclosed |
| CN-104271618-A | Preparation of functional polymers using phosphide initiators | BRIDGESTONE CORP | 2015-01-07 | — | — | CN | disclosed |