⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28790926 | 0.89 | — | — | |
| SCHEMBL1902828 | 0.75 | — | — | |
| SCHEMBL28932428 | 0.75 | — | — | |
| SCHEMBL10388900 | 0.75 | — | — | |
| SCHEMBL10276920 | 0.75 | — | — | |
| SCHEMBL28960222 | 0.75 | — | — | |
| SCHEMBL1296249 | 0.71 | — | — | |
| SCHEMBL28584013 | 0.67 | — | — | |
| SCHEMBL4207816 | 0.58 | — | — | |
| SCHEMBL5796036 | 0.50 | — | — |
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-102534470-A | Method for prolonging service life of rotor body cast steel lining plate of rotor concrete sprayer | WEIMING CHEN | 2012-07-04 | — | — | CN | disclosed |