⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2335945 | 0.86 | — | — | |
| SCHEMBL28408508 | 0.82 | — | — | |
| SCHEMBL4781738 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL4445118 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL251486 | 0.74 | — | — | |
| Biphenyl SCHEMBL3210279 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9900193 | 0.72 | ESR1 (0.32) | — | |
| SCHEMBL10695074 | 0.71 | ESR1 (0.33) | — | |
| Methane SCHEMBL2931201 | 0.70 | ESR1 (0.31) | — | |
| Biphenyl SCHEMBL6037111 | 0.70 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020228923-A1 | PREPARATION OF SILOXANES IN THE PRESENCE OF CATIONIC GERMANIUM (II) COMPOUNDS | WACKER CHEMIE AG (DE) | 2020-11-19 | — | — | WO | disclosed |