⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23468188 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL18871977 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL25129843 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL23809356 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL18567979 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL20052752 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL11339327 | 0.64 | — | — | |
| SCHEMBL11339324 | 0.64 | — | — | |
| SCHEMBL135480 | 0.62 | — | — | |
| SCHEMBL789515 | 0.62 | — | — |
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-3206689-B1 | INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE AND USES THEREOF | LA JOLLA INST OF ALLERGY & IMMUNOLOGY (US) | 2021-12-08 | — | — | EP | disclosed |