⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14492168 | 0.81 | MEN1 (0.41) | — | |
| SCHEMBL9808754 | 0.81 | — | — | |
| SCHEMBL8925934 | 0.81 | — | — | |
| SCHEMBL4374684 | 0.79 | — | — | |
| SCHEMBL2144006 | 0.78 | EPHX2 (0.32) | — | |
| SCHEMBL9008717 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL9722525 | 0.76 | MEN1 (0.44) | — | |
| SCHEMBL20462790 | 0.74 | — | — | |
| SCHEMBL17232542 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL28501250 | 0.74 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5621057-A | Alkenyl ether-siloxane compositions which can be crosslinked by free radicals | WACKER-CHEMIE GMBH (DE) | 1997-04-15 | — | — | US | disclosed |