⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7622085 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL231308 | 0.72 | — | — | |
| SCHEMBL6340630 | 0.72 | — | — | |
| SCHEMBL5985933 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL21249258 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL28338179 | 0.69 | — | — | |
| SCHEMBL28376641 | 0.69 | — | — | |
| SCHEMBL5984571 | 0.68 | — | — | |
| SCHEMBL10798811 | 0.68 | — | — | |
| SCHEMBL43611 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110538610-A | Polymerizable surfactant containing long-chain isomeric alkyl, and preparation and application thereof | PETROCHINA CO LTD | 2019-12-06 | — | — | CN | claimed |
| CN-110538610-A | Polymerizable surfactant containing long-chain isomeric alkyl, and preparation and application thereof | PETROCHINA CO LTD | 2019-12-06 | — | — | CN | disclosed |