⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL300034 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6415353 | 0.81 | TSHR (0.50) | — | |
| SCHEMBL11474235 | 0.75 | — | — | |
| SCHEMBL14621108 | 0.73 | — | — | |
| SCHEMBL8442797 | 0.73 | — | — | |
| SCHEMBL29026250 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL29198729 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28468704 | 0.71 | TSHR (0.62) | — | |
| Isopropylamine SCHEMBL28409863 | 0.71 | TSHR (0.86) | — | |
| SCHEMBL28116094 | 0.71 | TSHR (0.50) | — |
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-6638143-B2 | Ion exchange materials for chemical mechanical polishing | APPLIED MATERIALS, INC. | 2003-10-28 | — | — | US | disclosed |
| US-20020077035-A1 | Ion exchange materials for chemical mechanical polishing | APPLIED MATERIALS, INC. | 2002-06-20 | — | — | US | disclosed |