Iodide

Iodide

SCHEMBL7199742

Cc1ccc([P+](Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[I-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BCHE P06276 1/20 0.38
NFE2L2 Q16236 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7196958 0.97 ACHE (0.47) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Bromide SCHEMBL7198157 0.97 ACHE (0.47) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Phosphoric Acid SCHEMBL7194313 0.93 ACHE (0.43) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Acetic Acid SCHEMBL8750036 0.93 ACHE (0.43) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Acetic Acid SCHEMBL7201385 0.90 ACHE (0.41) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Succinic Acid SCHEMBL7201382 0.89 ACHE (0.40) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Iodide SCHEMBL7197607 0.84 TSHR (0.50) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Bromide SCHEMBL5828742 0.81 LMNA (0.44) CYP1A2CYP2C19TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7199844 0.81 TSHR (0.50) ACHEHSD17B10CYP1A2CYP3A4CYP2C19
Bromide SCHEMBL7194050 0.81 TSHR (0.50) ACHEHSD17B10CYP1A2CYP3A4CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624173-B2 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 2003-04-09 EP disclosed
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP disclosed
EP-0624173-A1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS. DOW CHEMICAL CO (US) 1994-11-17 EP disclosed
US-5360886-A Alklyphenylphosphine or phosphonium catalyst THE DOW CHEMICAL COMPANY (US) 1994-11-01 US disclosed
US-5310853-A Epoxy resins THE DOW CHEMICAL COMPANY (US) 1994-05-10 US disclosed
WO-1993015126-A1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS THE DOW CHEMICAL COMPANY (US) 1993-08-05 WO disclosed
US-5202407-A Phosphonium or phosphine catalyst having at least three alkylphenyl groups attached to phosphorus atom THE DOW CHEMICAL COMPANY (US) 1993-04-13 US disclosed