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 | |
|---|---|---|---|---|
| SCHEMBL1446884 | 0.97 | — | — | |
| Bromide SCHEMBL1446912 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1027842 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL28946468 | 0.80 | — | — | |
| SCHEMBL1445878 | 0.74 | — | — | |
| SCHEMBL41646 | 0.69 | CA1 (0.43) | — | |
| SCHEMBL7702552 | 0.69 | CA1 (0.43) | — | |
| Bromide SCHEMBL1445880 | 0.68 | CES2 (0.36) | — | |
| SCHEMBL23589702 | 0.66 | CA1 (0.41) | — | |
| Bromide SCHEMBL6247121 | 0.66 | CA1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6683218-B1 | REACTING AN ARYL FLUORIDE WITH HALOGENATED HYDROCARBON AND MAGNESIUM; METALLIZATION, BORATING; DISTILLING OUT DIETHYL ETHER OR TETRAHYDROFURAN SOLVENT | NIPPON SHOKUBAI CO., LTD. (JP) | 2004-01-27 | — | — | US | disclosed |
| EP-0825195-B1 | PRODUCING PROCESS OF FLUOROARYL MAGNESIUM DERIVATIVE AND PRODUCING PROCESS OF (FLUOROARYL)BORANE COMPOUND | NIPPON CATALYTIC CHEM IND (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-6057480-A | Process for preparing fluoroaryl magnesium derivative and process for preparing (fluoroaryl) borane compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0838466-A2 | Producing process of (fluoroaryl) borane compound and producing process of tetrakis (fluoroaryl) borate derivative | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-04-29 | — | — | EP | disclosed |
| EP-0825195-A1 | PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |