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 | |
|---|---|---|---|---|
| SCHEMBL692849 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1163152 | 0.90 | — | — | |
| Carbimide SCHEMBL27748573 | 0.65 | — | — | |
| SCHEMBL28216787 | 0.64 | — | — | |
| SCHEMBL4148522 | 0.64 | TSHR (0.75) | — | |
| SCHEMBL28561152 | 0.64 | TSHR (0.75) | — | |
| Methylisothiocyanate SCHEMBL8675064 | 0.64 | — | — | |
| SCHEMBL28690518 | 0.64 | TSHR (0.75) | — | |
| Methane SCHEMBL131438 | 0.61 | TSHR (0.69) | — | |
| Isothiocyanate SCHEMBL2134259 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110305158-A | A kind of midbody compound of daunomycinone | 鲁南制药集团股份有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110305101-A | A kind of daunomycinone midbody compound | 鲁南制药集团股份有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110304999-A | A kind of daunomycinone midbody compound | 鲁南制药集团股份有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110305001-A | A kind of synthetic method of epirubicin intermediate daunomycinone | 鲁南制药集团股份有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110305103-A | Daunomycinone midbody compound | 鲁南制药集团股份有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-110305104-A | A kind of daunomycinone intermediate | 鲁南制药集团股份有限公司 | 2019-10-08 | — | — | CN | disclosed |