⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6746524 | 0.79 | — | — | |
| SCHEMBL23473887 | 0.77 | — | — | |
| SCHEMBL129261 | 0.77 | — | — | |
| SCHEMBL17117582 | 0.77 | — | — | |
| SCHEMBL14444154 | 0.77 | THRB (0.35) | — | |
| SCHEMBL13478965 | 0.74 | — | — | |
| Fluoride SCHEMBL31712128 | 0.74 | — | — | |
| SCHEMBL78817 | 0.74 | — | — | |
| SCHEMBL30968709 | 0.74 | — | — | |
| SCHEMBL16757067 | 0.74 | — | — |
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-107903180-B | Environment-friendly fluorocarbon surfactant and preparation method and application thereof | 济南齐氟新材料技术有限公司 | 2020-04-28 | — | — | CN | disclosed |