⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9935565 | 0.78 | — | — | |
| SCHEMBL1072918 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL9935939 | 0.77 | — | — | |
| SCHEMBL5133126 | 0.77 | — | — | |
| Water SCHEMBL19583258 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL306673 | 0.76 | TSHR (0.30) | — | |
| Water SCHEMBL19510258 | 0.76 | TSHR (0.30) | — | |
| Bromide SCHEMBL6763662 | 0.76 | SMN1; SMN2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2105259 | 0.76 | TSHR (0.30) | — | |
| Iodide SCHEMBL3468334 | 0.76 | TSHR (0.30) | — |
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-20080038123-A1 | Processing and/or operating machine comprising an ionic liquid as the operating liquid | MERCK PATENT GMBH (DE) | 2008-02-14 | — | — | US | claimed |
| US-20080038123-A1 | Processing and/or operating machine comprising an ionic liquid as the operating liquid | MERCK PATENT GMBH (DE) | 2008-02-14 | — | — | US | disclosed |