⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1576090 | 0.80 | — | — | |
| SCHEMBL35033 | 0.78 | — | — | |
| SCHEMBL18010451 | 0.78 | — | — | |
| SCHEMBL27734012 | 0.78 | — | — | |
| SCHEMBL31013609 | 0.73 | — | — | |
| SCHEMBL31955571 | 0.73 | — | — | |
| Water SCHEMBL9398224 | 0.73 | — | — | |
| SCHEMBL6031311 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL15537102 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27550257 | 0.73 | — | — |
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-107955571-A | A kind of silane modified polyether base rubber of low viscosity and preparation method thereof | 浙江工业大学 | 2018-04-24 | — | — | CN | claimed |