⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL92969 | 0.65 | — | — | |
| SCHEMBL20181070 | 0.65 | — | — | |
| SCHEMBL3902218 | 0.61 | FNTA (0.32) | — | |
| SCHEMBL4946068 | 0.61 | — | — | |
| SCHEMBL1305942 | 0.61 | — | — | |
| SCHEMBL21612734 | 0.60 | — | — | |
| SCHEMBL9936227 | 0.60 | — | — | |
| SCHEMBL3077147 | 0.59 | KMT2A (0.31) | — | |
| SCHEMBL16516011 | 0.59 | KMT2A (0.31) | — | |
| SCHEMBL3077150 | 0.59 | KMT2A (0.31) | — |
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 |