⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7249527 | 0.86 | LMNA (0.47) | — | |
| SCHEMBL3108838 | 0.86 | LMNA (0.47) | — | |
| SCHEMBL512562 | 0.81 | LMNA (0.43) | — | |
| SCHEMBL19668150 | 0.80 | HSD17B10 (0.39) | — | |
| SCHEMBL19722557 | 0.80 | HSD17B10 (0.39) | — | |
| SCHEMBL12065454 | 0.78 | — | — | |
| SCHEMBL11117038 | 0.77 | THRB (0.44) | — | |
| SCHEMBL10937349 | 0.77 | — | — | |
| SCHEMBL19668160 | 0.77 | CYP3A4 (0.36) | — | |
| SCHEMBL5698961 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105378029-A | Hydrophilic high quantum yield acridinium esters with improved stability and fast luminescence | SIEMENS HEALTHCARE DIAGNOSTICS INC | 2016-03-02 | — | — | CN | disclosed |
| US-7132092-B2 | Metallized mesoporous silicate and method of oxidation with the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-11-07 | — | — | US | disclosed |
| US-20050090688-A1 | Metallized mesoporous silicate and method of oxidation with the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-04-28 | — | — | US | disclosed |
| US-5135970-A | Aqueous dispersion of a reaction product of an epoxy, a polyol and a polyamine; antiagglomerants, nonsettling; replacement for white pigments; automobiles | HOECHST AG (DE) | 1992-08-04 | — | — | US | disclosed |
| EP-0136791-A2 | Neocarzinostatin derivatives and method of producing the same | KURARAY CO., LTD. (JP) | 1985-04-10 | — | — | EP | disclosed |