⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25560476 | 0.85 | CCR2 (0.31) | — | |
| SCHEMBL25560657 | 0.84 | TLR9 (0.35) | — | |
| SCHEMBL20046475 | 0.80 | KCNH2 (0.34) | — | |
| SCHEMBL19768946 | 0.80 | CHRM5 (0.46) | — | |
| SCHEMBL13523623 | 0.80 | CHRM5 (0.41) | — | |
| SCHEMBL26748268 | 0.80 | ACHE (0.32) | — | |
| SCHEMBL27051339 | 0.78 | — | — | |
| SCHEMBL19768956 | 0.78 | CHRM5 (0.50) | — | |
| SCHEMBL25560580 | 0.78 | HRH3 (0.39) | — | |
| SCHEMBL19782222 | 0.78 | CHRM5 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023096995-A1 | COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2023-06-01 | — | — | WO | disclosed |