⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9146893 | 0.74 | — | — | |
| SCHEMBL4576665 | 0.73 | — | — | |
| SCHEMBL20176035 | 0.72 | — | — | |
| SCHEMBL233379 | 0.64 | — | — | |
| SCHEMBL19999793 | 0.64 | — | — | |
| SCHEMBL8763633 | 0.62 | — | — | |
| SCHEMBL16296172 | 0.60 | TSHR (0.40) | — | |
| SCHEMBL902714 | 0.60 | — | — | |
| SCHEMBL11567479 | 0.60 | — | — | |
| SCHEMBL11573275 | 0.58 | — | — |
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 |