⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29161301 | 0.81 | MAP4K4 (0.32) | — | |
| SCHEMBL29236255 | 0.75 | MAPK1 (0.41) | — | |
| SCHEMBL31150732 | 0.72 | MET (0.39) | — | |
| SCHEMBL30939756 | 0.71 | HDAC3 (0.33) | — | |
| SCHEMBL29176793 | 0.69 | — | — | |
| SCHEMBL29139833 | 0.67 | — | — | |
| SCHEMBL29165059 | 0.66 | LMNA (0.34) | — | |
| SCHEMBL31507277 | 0.65 | ESR2 (0.35) | — | |
| SCHEMBL29236192 | 0.65 | HDAC4 (0.30) | — | |
| SCHEMBL29138047 | 0.65 | ACHE (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110831926-B | Tetrahydronaphtyl urea derivatives | 持田制药株式会社 | 2023-11-21 | — | — | CN | disclosed |