⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20176061 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL20176041 | 0.74 | CYP2D6 (0.35) | — | |
| SCHEMBL20176071 | 0.73 | — | — | |
| SCHEMBL20176055 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL20176073 | 0.72 | CCR1 (0.31) | — | |
| SCHEMBL20176077 | 0.72 | PRMT6 (0.30) | — | |
| SCHEMBL20176056 | 0.72 | SQOR (0.32) | — | |
| SCHEMBL20176058 | 0.72 | CSNK2A1 (0.31) | — | |
| SCHEMBL20176068 | 0.71 | S1PR3 (0.32) | — | |
| SCHEMBL20176053 | 0.71 | KCNN4 (0.30) | — |
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 |