⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1534073 | 0.73 | — | — | |
| SCHEMBL20032246 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL25130206 | 0.62 | — | — | |
| SCHEMBL8268595 | 0.61 | — | — | |
| SCHEMBL7682664 | 0.59 | ALDH1A1 (0.38) | — | |
| SCHEMBL15131909 | 0.58 | MAPK1 (0.38) | — | |
| SCHEMBL6991459 | 0.57 | PRKCA (0.42) | — | |
| SCHEMBL3228869 | 0.57 | TSHR (0.46) | — | |
| SCHEMBL5547017 | 0.57 | DGAT1 (0.36) | — | |
| SCHEMBL11131624 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017042380-A1 | NOVEL 5-AMINO-2-THIOIMIDAZOLE COMPOUNDS AND THEIR USE | UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) | 2017-03-16 | — | — | WO | disclosed |