⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19418629 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL19418623 | 0.86 | — | — | |
| SCHEMBL19418621 | 0.80 | — | — | |
| SCHEMBL3418809 | 0.76 | — | — | |
| SCHEMBL19418650 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL17550888 | 0.74 | — | — | |
| SCHEMBL28943391 | 0.73 | — | — | |
| SCHEMBL19418639 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL19418627 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL17550842 | 0.71 | TSHR (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-20170283443-A1 | FLUOROSILICON NITRILE COMPOUNDS | ARKEMA INC. | 2017-10-05 | — | — | US | disclosed |
| WO-2016032792-A1 | FLUOROSILICON NITRILE COMPOUNDS | ARKEMA INC. (US) | 2016-03-03 | — | — | WO | disclosed |