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 | |
|---|---|---|---|---|
| SCHEMBL60791 | 0.82 | — | — | |
| SCHEMBL4313716 | 0.82 | — | — | |
| SCHEMBL8026404 | 0.67 | — | — | |
| SCHEMBL18575259 | 0.67 | — | — | |
| SCHEMBL18575307 | 0.67 | — | — | |
| Zinc Ion SCHEMBL1336733 | 0.67 | — | — | |
| Iodide SCHEMBL10484634 | 0.67 | — | — | |
| SCHEMBL18575292 | 0.67 | — | — | |
| Iodide SCHEMBL11764236 | 0.67 | — | — | |
| Lithium Ion SCHEMBL8913080 | 0.67 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4273943-A | OXIDATION OF ISOEUGENOL WITH ACID HYDROLYSIS | MERCK & CO., INC. (US) | 1981-06-16 | — | — | US | claimed |
| US-20090030218-A1 | Method For Producing Aminoalcohol Derivative Having Biphenyl Group | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1932826-A1 | METHOD FOR PRODUCING AMINOALCOHOL DERIVATIVE HAVING BIPHENYL GROUP | Kissei Pharmaceutical Co., Ltd. (JP) | 2008-06-18 | — | — | EP | disclosed |
| US-4728666-A | Heteroaromatic acetylenes useful as antihypertensive agents | MCNEILAB, INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0226447-A2 | Heteroaromatic acetylenes useful as antihypertensive agents | McNeilab, Inc. (US) | 1987-06-24 | — | — | EP | disclosed |
| US-4663334-A | Heteroaromatic acetylenes useful as antihypertensive agents | MCNEILAB, INC. (US) | 1987-05-05 | — | — | US | disclosed |
| US-4652584-A | Acetylenic phenoxypropanol derivatives and pharmaceutical compositions for the treatment of hypertension | MCNEILAB, INC. (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0171209-A1 | Acetylenic phenoxypropanol derivatives and pharmaceutical compositions for the treatment of hypertension | McNeilab, Inc. (US) | 1986-02-12 | — | — | EP | disclosed |
| US-4393242-A | Process for preparing methylvanillyl ketone from isoeugenol | MERCK & CO., INC. (US) | 1983-07-12 | — | — | US | disclosed |
| US-4337360-A | EPOXIDATION OF PROTECTED ISOEUGENOL FOLLOWED BY ACID HYDROLYSIS | MERCK & CO., INC. (US) | 1982-06-29 | — | — | US | disclosed |
| US-4273943-A | OXIDATION OF ISOEUGENOL WITH ACID HYDROLYSIS | MERCK & CO., INC. (US) | 1981-06-16 | — | — | US | disclosed |
| US-3957783-A | URICOSURIC ACTIVITY | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-05-18 | — | — | US | disclosed |