⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5485000 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL5482481 | 0.73 | CYP3A4 (0.36) | — | |
| SCHEMBL5490681 | 0.65 | — | — | |
| SCHEMBL5490340 | 0.64 | TDP1 (0.34) | — | |
| SCHEMBL5483421 | 0.62 | — | — | |
| SCHEMBL11349068 | 0.62 | CA1 (0.32) | — | |
| SCHEMBL4449478 | 0.62 | CA1 (0.32) | — | |
| SCHEMBL332145 | 0.60 | CA1 (0.35) | — | |
| SCHEMBL11436697 | 0.60 | CA1 (0.30) | — | |
| SCHEMBL11224021 | 0.58 | CA1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4228092-A | BY ALCOHOL ESTERIFICATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1980-10-14 | — | — | US | claimed |
| US-7291747-B2 | Silicon compounds and process for preparation thereof | CHISSO CORPORATION (JP) | 2007-11-06 | — | — | US | disclosed |
| US-20040143081-A1 | Novel silicon compounds and process for preparation thereof | JNC CORPORATION (JP) | 2004-07-22 | — | — | US | disclosed |
| US-4228092-A | BY ALCOHOL ESTERIFICATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1980-10-14 | — | — | US | disclosed |