⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27278590 | 0.94 | — | — | |
| SCHEMBL8333512 | 0.94 | — | — | |
| SCHEMBL135386 | 0.87 | — | — | |
| SCHEMBL27258174 | 0.80 | — | — | |
| Water SCHEMBL5894585 | 0.80 | — | — | |
| SCHEMBL28051704 | 0.80 | — | — | |
| SCHEMBL7847667 | 0.80 | — | — | |
| SCHEMBL28223509 | 0.80 | — | — | |
| SCHEMBL27608987 | 0.80 | — | — | |
| Ethylene SCHEMBL28013103 | 0.75 | — | — |
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-103339084-B | There is the hydraulic binder of low clinker content | 拉法基公司 | 2016-09-14 | — | — | CN | disclosed |