⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7776955 | 0.82 | — | — | |
| SCHEMBL1957794 | 0.79 | — | — | |
| SCHEMBL4388728 | 0.75 | — | — | |
| SCHEMBL388337 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL31351377 | 0.67 | — | — | |
| SCHEMBL20176037 | 0.65 | — | — | |
| SCHEMBL9354462 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL11501966 | 0.63 | — | — | |
| SCHEMBL123281 | 0.63 | — | — | |
| SCHEMBL29501847 | 0.63 | — | — |
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 3 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 |
| US-20180141964-A1 | FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF | EAST CHINA NORMAL UNIVERSITY (CN) | 2018-05-24 | — | — | US | disclosed |