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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1208933 | 0.86 | — | — | |
| Water SCHEMBL27258635 | 0.86 | — | — | |
| Bromide SCHEMBL11232903 | 0.86 | — | — | |
| Fluoride Ion SCHEMBL11595267 | 0.86 | — | — | |
| Water SCHEMBL27514140 | 0.63 | — | — | |
| Propane SCHEMBL987166 | 0.62 | — | — | |
| Iodide SCHEMBL1627545 | 0.57 | — | — | |
| Iodide SCHEMBL18395541 | 0.57 | — | — | |
| Iodide SCHEMBL1627588 | 0.57 | — | — | |
| Iodide SCHEMBL568698 | 0.57 | — | — |
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-4161571-A | GELATION INHIBITORS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1979-07-17 | — | — | US | disclosed |
| US-4121032-A | Process for preparing alternating copolymer of conjugated vinyl compound and olefinic unsaturated compound with oxygen and boron compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1978-10-17 | — | — | US | disclosed |
| US-4080493-A | POLYBUTADIENE, POLYISOPRENE, GELATION INHIBITOR | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1978-03-21 | — | — | US | disclosed |
| US-4054612-A | HOMO- OR COPOLYMERIZATION OF BUTADIENE, CATALYTIC | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-10-18 | — | — | US | disclosed |
| US-4052473-A | OF ISOPRENE, NICKEL-ALKYLAMUMIN HALIDE CONTAINING CATALYST | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-10-04 | — | — | US | disclosed |
| US-3989882-A | Process for preparing an alternating copolymer of a conjugated vinyl compound and an olefinic unsaturated compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-11-02 | — | — | US | disclosed |