⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2223044 | 0.76 | — | — | |
| SCHEMBL33684 | 0.72 | — | — | |
| SCHEMBL9318245 | 0.69 | — | — | |
| SCHEMBL1845804 | 0.65 | — | — | |
| SCHEMBL8846177 | 0.63 | — | — | |
| SCHEMBL8581240 | 0.59 | — | — | |
| SCHEMBL297264 | 0.59 | — | — | |
| SCHEMBL7778651 | 0.58 | — | — | |
| SCHEMBL7697716 | 0.58 | — | — | |
| SCHEMBL5832951 | 0.55 | — | — |
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-20120157701-A1 | PROCESS FOR PREPARING SILOXY CARBOXYLATES | BASF SE (DE) | 2012-06-21 | — | — | US | disclosed |