Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4362924 | 0.95 | — | — | |
| SCHEMBL29166151 | 0.88 | — | — | |
| SCHEMBL2831785 | 0.86 | — | — | |
| Iodide SCHEMBL26926109 | 0.78 | — | — | |
| SCHEMBL8723434 | 0.77 | — | — | |
| SCHEMBL29210273 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL9650554 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL10707092 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL1820307 | 0.74 | — | — | |
| SCHEMBL10580147 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9102872-B2 | Device material for hole injection transport layer, ink for forming hole injection transport layer, device comprising hole injection transport layer, and method for producing the device | DAI NIPPON PRINTING CO., LTD. (JP) | 2015-08-11 | — | — | US | disclosed |
| EP-2461388-A1 | DEVICE MATERIAL FOR HOLE INJECTION/TRANSPORT LAYER, INK FOR FORMING HOLE INJECTION/TRANSPORT LAYER, DEVICE HAVING HOLE INJECTION/TRANSPORT LAYER, AND METHOD FOR MANUFACTURING SAME | Dai Nippon Printing Co., Ltd. (JP) | 2012-06-06 | — | — | EP | disclosed |
| US-20120119200-A1 | DEVICE MATERIAL FOR HOLE INJECTION TRANSPORT LAYER, INK FOR FORMING HOLE INJECTION TRANSPORT LAYER, DEVICE COMPRISING HOLE INJECTION TRANSPORT LAYER, AND METHOD FOR PRODUCING THE DEVICE | DAI NIPPON PRINTING CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |