⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7625195 | 0.92 | — | — | |
| SCHEMBL15801110 | 0.85 | NAAA (0.31) | — | |
| SCHEMBL8735347 | 0.84 | — | — | |
| SCHEMBL7762243 | 0.84 | — | — | |
| SCHEMBL3902606 | 0.84 | — | — | |
| SCHEMBL392716 | 0.83 | — | — | |
| SCHEMBL19465091 | 0.82 | — | — | |
| SCHEMBL13475844 | 0.82 | — | — | |
| SCHEMBL407180 | 0.82 | — | — | |
| SCHEMBL15802649 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9023830-B2 | Cosmetic | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-05-05 | — | — | US | disclosed |
| US-20130267478-A1 | COSMETIC | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-10-10 | — | — | US | disclosed |
| EP-0794440-B1 | Ocular lens and a method for its production | MENICON CO LTD (JP) | 2001-05-23 | — | — | EP | disclosed |
| US-5777032-A | ACRYLATE POLYMER AND SILICONE POLYMER | MENICON CO., LTD. (JP) | 1998-07-07 | — | — | US | disclosed |
| EP-0781777-A1 | Silicon-containing compound and ocular lens material | Menicon Co., Ltd. (JP) | 1997-07-02 | — | — | EP | disclosed |