⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2104450 | 0.73 | — | — | |
| SCHEMBL25174542 | 0.65 | — | — | |
| SCHEMBL2268773 | 0.62 | — | — | |
| SCHEMBL49636 | 0.60 | — | — | |
| SCHEMBL11736858 | 0.58 | — | — | |
| SCHEMBL2273325 | 0.56 | — | — | |
| SCHEMBL17701118 | 0.56 | — | — | |
| SCHEMBL19275257 | 0.56 | — | — | |
| SCHEMBL21434292 | 0.56 | — | — | |
| SCHEMBL7559178 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102491990-B | Based on the precursor of amino vinylsilane | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-12-09 | — | — | CN | disclosed |