⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29153268 | 0.98 | TSHR (0.38) | — | |
| SCHEMBL149786 | 0.80 | — | — | |
| SCHEMBL3284084 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL27767073 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL9817923 | 0.78 | TSHR (0.43) | — | |
| Bromide SCHEMBL29244222 | 0.78 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL28480383 | 0.78 | TSHR (0.41) | — | |
| SCHEMBL28132039 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL27995286 | 0.77 | — | — | |
| Butane SCHEMBL1034123 | 0.77 | TSHR (0.42) | — |
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-20050008828-A1 | Patterned polymer microgel and method of forming same | TRUSTEES OF STEVENS INSTITUTE OF TECHNOLOGY | 2005-01-13 | — | — | US | disclosed |
| US-20040137039-A1 | Methods for controlled release of molecules from layered polymer films | TRUSTEES OF STEVENS INSTITUTE OF TECHNOLOGY | 2004-07-15 | — | — | US | disclosed |