⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17873844 | 0.65 | ADORA2A (0.40) | — | |
| SCHEMBL20155081 | 0.64 | NR4A2 (0.31) | — | |
| SCHEMBL20155612 | 0.62 | LMNA (0.34) | — | |
| SCHEMBL20155347 | 0.62 | MAT2A (0.38) | — | |
| SCHEMBL24035856 | 0.62 | ACACB (0.34) | — | |
| SCHEMBL20155400 | 0.61 | PDE4D (0.39) | — | |
| SCHEMBL23531689 | 0.58 | PDE4D (0.43) | — | |
| SCHEMBL31564684 | 0.58 | AURKA (0.48) | — | |
| SCHEMBL20155016 | 0.57 | CNR2 (0.38) | — | |
| SCHEMBL20155042 | 0.57 | MAP4K4 (0.42) | — |
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-3892621-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |