⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5486589 | 0.94 | — | — | |
| SCHEMBL8904254 | 0.74 | DAO (0.33) | — | |
| SCHEMBL5490687 | 0.73 | TAAR1 (0.50) | — | |
| SCHEMBL1004617 | 0.71 | MAPK1 (0.32) | — | |
| SCHEMBL5488501 | 0.70 | MAPK1 (0.35) | — | |
| SCHEMBL8903983 | 0.69 | MPO (0.34) | — | |
| SCHEMBL11322022 | 0.67 | F13A1 (0.61) | — | |
| SCHEMBL8359245 | 0.66 | CTRC (0.44) | — | |
| SCHEMBL1005289 | 0.66 | MAPK1 (0.35) | — | |
| SCHEMBL17552724 | 0.66 | MAPK1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |