⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8857948 | 0.81 | — | — | |
| SCHEMBL7060146 | 0.78 | — | — | |
| SCHEMBL27950801 | 0.78 | — | — | |
| SCHEMBL70323 | 0.78 | — | — | |
| SCHEMBL28940458 | 0.76 | — | — | |
| SCHEMBL29001779 | 0.76 | — | — | |
| SCHEMBL6931939 | 0.76 | — | — | |
| SCHEMBL14676199 | 0.76 | — | — | |
| SCHEMBL21634387 | 0.76 | — | — | |
| SCHEMBL705353 | 0.76 | — | — |
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-101381462-B | Polysiloxane binary alcohol with polyether block and preparation method thereof | USTC UNIV SCIENCE TECH CN | 2011-01-19 | — | — | CN | disclosed |
| CN-101381462-A | Polysiloxane binary alcohol with polyether block and preparation method thereof | USTC UNIV SCIENCE TECH CN (CN) | 2009-03-11 | — | — | CN | disclosed |