⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3795399 | 0.78 | — | — | |
| SCHEMBL538109 | 0.73 | — | — | |
| SCHEMBL9631860 | 0.70 | — | — | |
| SCHEMBL5468116 | 0.67 | CYP3A4 (0.36) | — | |
| SCHEMBL4223006 | 0.60 | — | — | |
| SCHEMBL29025795 | 0.57 | — | — | |
| SCHEMBL270186 | 0.55 | — | — | |
| SCHEMBL5861036 | 0.53 | — | — | |
| SCHEMBL538108 | 0.53 | — | — | |
| SCHEMBL2683186 | 0.52 | TSHR (0.45) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394920-B2 | Composition for resin and optical lens obtained therefrom | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2013-03-12 | — | — | US | disclosed |
| CN-101932630-B | Composition for resin and optical lens obtained therefrom | MITSUBISHI GAS CHEMICAL CO | 2012-12-05 | — | — | CN | disclosed |
| US-20100331515-A1 | COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2010-12-30 | — | — | US | disclosed |
| CN-101932630-A | Composition for resin and optical lens obtained therefrom | MITSUBISHI GAS CHEMICAL CO | 2010-12-29 | — | — | CN | disclosed |
| EP-2243798-A1 | COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM | Mitsubishi Gas Chemical Company, Inc. (JP) | 2010-10-27 | — | — | EP | disclosed |
| US-5087759-A | SYNTHESIS OF VICINAL ALKANEDITHIOLS | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1992-02-11 | — | — | US | disclosed |