⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8529437 | 0.97 | — | — | |
| SCHEMBL1784890 | 0.78 | SOAT1 (0.30) | — | |
| Bromide SCHEMBL5551514 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5548371 | 0.74 | — | — | |
| SCHEMBL19551323 | 0.74 | — | — | |
| Water SCHEMBL4252402 | 0.74 | ACHE (0.31) | — | |
| SCHEMBL10960801 | 0.71 | ALDH1A1 (0.38) | — | |
| Propane SCHEMBL28195419 | 0.70 | — | — | |
| Cyclopropane SCHEMBL7622646 | 0.69 | — | — | |
| SCHEMBL27262353 | 0.67 | — | — |
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-106397133-A | Synthetic method for metoprolol drug intermediate methyl phenylethyl ether | 厦门安普顿信息科技有限公司 | 2017-02-15 | — | — | CN | disclosed |