⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15659419 | 1.00 | TSHR (0.36) | — | |
| SCHEMBL27922143 | 0.96 | TSHR (0.38) | — | |
| SCHEMBL22105 | 0.96 | — | — | |
| SCHEMBL9402771 | 0.92 | TSHR (0.36) | — | |
| Water SCHEMBL1155773 | 0.92 | — | — | |
| Methane SCHEMBL23927285 | 0.92 | — | — | |
| Bromide SCHEMBL6752530 | 0.92 | — | — | |
| SCHEMBL7851077 | 0.92 | — | — | |
| SCHEMBL16738682 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL220991 | 0.92 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0400786-B1 | Heat stable acrylamide polysiloxane composition | DOW CORNING (US) | 1995-09-20 | — | — | EP | disclosed |