⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15844074 | 0.71 | — | — | |
| SCHEMBL18989306 | 0.69 | — | — | |
| SCHEMBL599022 | 0.69 | — | — | |
| SCHEMBL9641343 | 0.69 | — | — | |
| SCHEMBL27567076 | 0.69 | — | — | |
| SCHEMBL4988969 | 0.69 | — | — | |
| SCHEMBL28025124 | 0.67 | — | — | |
| SCHEMBL1705608 | 0.67 | — | — | |
| SCHEMBL27540347 | 0.67 | — | — | |
| SCHEMBL28843372 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104650128-B | A kind of preparation method of α amino tributanoximo silane | 山东大学 | 2017-10-10 | — | — | CN | disclosed |