⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6420524 | 0.83 | TSHR (0.60) | — | |
| SCHEMBL6419843 | 0.83 | TSHR (0.60) | — | |
| SCHEMBL8382190 | 0.77 | — | — | |
| SCHEMBL8385676 | 0.70 | TSHR (0.46) | — | |
| Butyl Chloride SCHEMBL9430994 | 0.70 | — | — | |
| SCHEMBL23700996 | 0.69 | — | — | |
| Butyl Chloride SCHEMBL11601537 | 0.67 | — | — | |
| Butyl Chloride SCHEMBL10720283 | 0.67 | — | — | |
| SCHEMBL8384635 | 0.67 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL1128248 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6946537-B2 | Siloxane oligomers, a process for their production and their use | DEGUSSA AG (DE) | 2005-09-20 | — | — | US | disclosed |
| US-20040158090-A1 | Siloxane oligomers, a process for their production and their use | EVONIK DEGUSSA GMBH (DE) | 2004-08-12 | — | — | US | disclosed |
| US-20030018155-A1 | Siloxane oligomers, a process for their production and their use | DEGUSSA AG (DE) | 2003-01-23 | — | — | US | disclosed |