⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20245195 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL4334641 | 0.76 | — | — | |
| SCHEMBL25793112 | 0.76 | POLB (0.32) | — | |
| Bromide SCHEMBL6377320 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL28327462 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL31332977 | 0.74 | ALDH1A1 (0.31) | — | |
| Methylamine SCHEMBL27516532 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL860536 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL923979 | 0.72 | BRD4 (0.36) | — | |
| SCHEMBL13666841 | 0.72 | KCNH2 (0.30) | — |
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-108137501-A | For by the homogeneous process of halogenation heteroaryl compound hydrodehalogenation | 庄信万丰股份有限公司 | 2018-06-08 | — | — | CN | disclosed |