⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7765034 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL8037448 | 0.80 | — | — | |
| SCHEMBL5604350 | 0.79 | — | — | |
| SCHEMBL6046320 | 0.77 | — | — | |
| SCHEMBL7769062 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL8987593 | 0.73 | — | — | |
| SCHEMBL7770170 | 0.71 | — | — | |
| SCHEMBL523637 | 0.69 | — | — | |
| SCHEMBL1316645 | 0.69 | — | — | |
| SCHEMBL448794 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1114824-B1 | Process for preparing 1,3-dihalo-1,1,3,3-tetraorgano disilioxanes | WACKER CHEMIE GMBH (DE) | 2001-12-12 | — | — | EP | disclosed |
| US-6284907-B1 | REACTING HYDROGEN HALIDE WITH THE CORRESPONDING 1,3-DIHYDRO-1,1,3,3-TETRA(ORGANYL)DISILOXANES; CATALYST SELECTED FROM TRANSITION METALS OF THE 8TH SUBGROUP OF THE PERIODIC TABLE OF THE ELEMENTS, OR COMPOUNDS OR COMPLEXES | WACKER-CHEMIE GMBH (DE) | 2001-09-04 | — | — | US | disclosed |
| EP-1114824-A1 | Process for preparing 1,3-dihalo-1,1,3,3-tetraorgano disilioxanes | Wacker-Chemie GmbH (DE) | 2001-07-11 | — | — | EP | disclosed |