⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3050586 | 0.69 | — | — | |
| SCHEMBL6720088 | 0.62 | — | — | |
| SCHEMBL14351855 | 0.61 | — | — | |
| SCHEMBL6720096 | 0.61 | — | — | |
| SCHEMBL21827387 | 0.59 | — | — | |
| SCHEMBL916716 | 0.58 | — | — | |
| SCHEMBL10712194 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL8195765 | 0.56 | — | — | |
| SCHEMBL23094418 | 0.55 | — | — | |
| SCHEMBL9161862 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10450331-B2 | Functionalized cyanosilane and synthesis method and use thereof | EAST CHINA NORMAL UNIVERSITY (CN) | 2019-10-22 | — | — | US | disclosed |
| US-20180141964-A1 | FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF | EAST CHINA NORMAL UNIVERSITY (CN) | 2018-05-24 | — | — | US | disclosed |