⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402632 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL4646300 | 0.81 | — | — | |
| SCHEMBL27367176 | 0.75 | — | — | |
| SCHEMBL27548616 | 0.75 | — | — | |
| SCHEMBL1402908 | 0.73 | — | — | |
| SCHEMBL2784940 | 0.69 | ALDH1A1 (0.55) | — | |
| SCHEMBL26517194 | 0.69 | HTR1A (0.30) | — | |
| SCHEMBL1402624 | 0.66 | — | — | |
| SCHEMBL1402708 | 0.66 | — | — | |
| SCHEMBL1548563 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1271121-C | Polymerization regulators, and compositions for resin | MITSUBISHI GAS CHEMICAL CO (JP) | 2006-08-23 | — | — | CN | disclosed |
| CN-1462290-A | Polymerization regulator and composition for resin | MITSUBISHI GAS CHEMICAL CO (JP) | 2003-12-17 | — | — | CN | disclosed |