⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8460473 | 0.97 | — | — | |
| SCHEMBL2466969 | 0.82 | — | — | |
| SCHEMBL15865990 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28157269 | 0.78 | — | — | |
| SCHEMBL452809 | 0.78 | — | — | |
| SCHEMBL17680 | 0.78 | — | — | |
| SCHEMBL28028831 | 0.78 | — | — | |
| SCHEMBL35885 | 0.78 | — | — | |
| SCHEMBL2362602 | 0.78 | — | — | |
| SCHEMBL21799209 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0544674-A1 | ORGANO(POLY)SILOXANES WITH SILOXANE UNITS AT THE END OF THE CHAIN HAVING ORGANYLOXY AND HYDROGEN GROUPS. | WACKER CHEMIE GMBH (DE) | 1993-06-09 | — | — | EP | disclosed |
| WO-1991016371-A1 | ORGANO(POLY)SILOXANES WITH SILOXANE UNITS AT THE END OF THE CHAIN HAVING ORGANYLOXY AND HYDROGEN GROUPS | WACKER-CHEMIE GMBH (DE) | 1991-10-31 | — | — | WO | disclosed |