⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891293 | 0.73 | — | — | |
| SCHEMBL21772350 | 0.71 | TSHR (0.52) | — | |
| SCHEMBL554115 | 0.71 | — | — | |
| SCHEMBL15253 | 0.71 | — | — | |
| SCHEMBL28520802 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL8726034 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL13430944 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL3838892 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL3335138 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL22115233 | 0.67 | — | — |
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-20180052390-A1 | ONIUM COMPOUNDS AND METHODS OF SYNTHESIS THEREOF | ROHM AND HAAS ELECTRONIC MATERIALS LLC | 2018-02-22 | — | — | US | disclosed |
| WO-2014199175-A1 | POLYDENDRONS | THE UNIVERSITY OF LIVERPOOL (GB) | 2014-12-18 | — | — | WO | disclosed |