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 | |
|---|---|---|---|---|
| SCHEMBL6280017 | 0.96 | — | — | |
| Bromide SCHEMBL10619655 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL25211773 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28530009 | 0.92 | — | — | |
| Phosphoric Acid SCHEMBL29172372 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL2097116 | 0.74 | — | — | |
| SCHEMBL13602706 | 0.72 | — | — | |
| SCHEMBL16250203 | 0.72 | LMNA (0.68) | — | |
| SCHEMBL10012823 | 0.72 | LMNA (0.68) | — | |
| SCHEMBL11010605 | 0.72 | LMNA (0.68) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1040535-C | Isomerization of epoxyalkenes dihydrofurans and catalysts compositions useful therefor | EASTMAN CHEMISTRY CO (US) | 1998-11-04 | — | — | CN | disclosed |
| EP-0624157-A1 | CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM -g(g),-g(d)-EPOXYBUTENES. | EASTMAN CHEM CO (US) | 1994-11-17 | — | — | EP | disclosed |
| WO-1993010111-A1 | CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM η,δ-EPOXYBUTENES | EASTMAN KODAK COMPANY (US) | 1993-05-27 | — | — | WO | disclosed |
| CN-1055359-A | Isomery epoxy alkene is 2,5-dihydrofuran and its useful catalysts composition | EASTMAN KODAK CO (US) | 1991-10-16 | — | — | CN | disclosed |