⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4941978 | 0.77 | THRB (0.35) | — | |
| SCHEMBL8849373 | 0.72 | — | — | |
| SCHEMBL2271811 | 0.70 | — | — | |
| SCHEMBL8849908 | 0.70 | — | — | |
| SCHEMBL2272072 | 0.69 | — | — | |
| SCHEMBL1720305 | 0.69 | — | — | |
| SCHEMBL1140837 | 0.68 | — | — | |
| SCHEMBL380183 | 0.68 | — | — | |
| SCHEMBL3810500 | 0.65 | — | — | |
| SCHEMBL4594892 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016124676-A1 | PROCESS FOR PRODUCING POLYETHYLENE | BOREALIS AG (AT) | 2016-08-11 | — | — | WO | disclosed |
| WO-2002010501-A1 | METHOD FOR TREATING ORGANIC FIBRES BY MEANS OF AMINOFUNCTIONAL ORGANOSILICON COMPOUNDS | WACKER-CHEMIE GMBH (DE) | 2002-02-07 | — | — | WO | disclosed |