⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4586133 | 0.74 | — | — | |
| SCHEMBL992525 | 0.70 | — | — | |
| SCHEMBL3680410 | 0.68 | — | — | |
| SCHEMBL1865306 | 0.67 | — | — | |
| SCHEMBL5082305 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL2960180 | 0.65 | CYP2C19 (0.35) | — | |
| SCHEMBL9187830 | 0.65 | — | — | |
| SCHEMBL526003 | 0.64 | — | — | |
| SCHEMBL1978458 | 0.64 | — | — | |
| SCHEMBL11803472 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1378795-B1 | Resist composition and patterning process | SHINETSU CHEMICAL CO (JP) | 2012-08-29 | — | — | EP | disclosed |
| US-7588334-B2 | Contact lens | MENICON CO., LTD. (JP) | 2009-09-15 | — | — | US | disclosed |
| US-20070232755-A1 | Contact Lens | MENICON CO., LTD. (JP) | 2007-10-04 | — | — | US | disclosed |
| EP-1378795-A1 | Resist composition and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-01-07 | — | — | EP | disclosed |