⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675950 | 0.79 | — | — | |
| SCHEMBL4528793 | 0.65 | — | — | |
| SCHEMBL21550836 | 0.61 | — | — | |
| SCHEMBL19861680 | 0.60 | — | — | |
| SCHEMBL15981423 | 0.60 | — | — | |
| SCHEMBL196319 | 0.60 | — | — | |
| SCHEMBL4520582 | 0.58 | — | — | |
| Ethylenediamine SCHEMBL9821211 | 0.58 | — | — | |
| SCHEMBL2002336 | 0.58 | NFKB1 (0.38) | — | |
| SCHEMBL4536237 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4149411-A1 | METHOD FOR TREATING HUMAN HAIR WITH AGENTS CONTAINING MIXTURES OF ORGANIC C1-C6 ALKOXY SILOXANES | Henkel AG & Co. KGaA (DE) | 2023-03-22 | — | — | EP | disclosed |