⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1241816 | 0.81 | — | — | |
| Iodide SCHEMBL9422924 | 0.78 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL1423725 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL13650833 | 0.73 | — | — | |
| SCHEMBL21541293 | 0.71 | — | — | |
| SCHEMBL15624088 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL11698057 | 0.71 | — | — | |
| SCHEMBL15478967 | 0.71 | — | — | |
| SCHEMBL5187349 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL9314037 | 0.71 | — | — |
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-3293182-A1 | HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE | Aerpio Therapeutics, Inc. (US) | 2018-03-14 | — | — | EP | disclosed |