⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12690707 | 0.91 | — | — | |
| SCHEMBL11039909 | 0.90 | — | — | |
| SCHEMBL11036283 | 0.90 | — | — | |
| SCHEMBL11041855 | 0.88 | — | — | |
| SCHEMBL11038919 | 0.88 | THRA (0.30) | — | |
| SCHEMBL11037103 | 0.87 | — | — | |
| SCHEMBL11042432 | 0.83 | — | — | |
| SCHEMBL11037789 | 0.82 | — | — | |
| SCHEMBL11039929 | 0.82 | — | — | |
| SCHEMBL28638650 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0115531-A1 | SILOXANE-CONTAINING POLYMERS AND CONTACT LENSES THEREFROM | POLYMATIC INVESTMENT CORPORATION N.V. (AN) | 1984-08-15 | — | — | EP | disclosed |
| US-4450264-A | CROSSLINKED COPOLYMER OF A TRIS/TRIMETHYLSILOXY/SILYL ALKYL OR CYCLOHEXYL ACRYLATE; OXYGEN PERMEABILITY | POLYMATIC INVESTMENT CORP., N.V. (NL) | 1984-05-22 | — | — | US | disclosed |
| WO-1984000763-A1 | SILOXANE-CONTAINING POLYMERS AND CONTACT LENSES THEREFROM | POLYMATIC INVESTMENT CORP NV (NL) | 1984-03-01 | — | — | WO | disclosed |