⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2230312 | 0.75 | — | — | |
| SCHEMBL1711621 | 0.75 | TSHR (0.30) | — | |
| Methylamine SCHEMBL8782164 | 0.73 | — | — | |
| SCHEMBL1331944 | 0.71 | — | — | |
| SCHEMBL10940023 | 0.71 | — | — | |
| SCHEMBL1296 | 0.71 | — | — | |
| SCHEMBL4321166 | 0.71 | — | — | |
| SCHEMBL7240952 | 0.71 | — | — | |
| SCHEMBL25089845 | 0.69 | — | — | |
| SCHEMBL20776294 | 0.69 | — | — |
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-1566072-A | Method for preparing 2-halomethyl phenylacetiate | SAGAMI CHEM RES (JP) | 2005-01-19 | — | — | CN | disclosed |