SCHEMBL9117364

SCHEMBL9117364

CCCCC(CCC)[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A1 O15245 3/20 0.39
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 4/20 0.35
CYP3A4 P08684 1/20 0.34
CA2 P00918 2/20 0.33
SLC22A2 O15244 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.32

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
Fluoride Ion SCHEMBL28863768 0.98 TSHR (0.38) TSHRSMN1; SMN2SLC22A1ALDH1A1TDP1
Fluoride Ion SCHEMBL2965514 0.98 TSHR (0.38) TSHRSMN1; SMN2SLC22A1ALDH1A1TDP1
Bromide SCHEMBL2992549 0.92 SLC22A1 (0.41) TSHRSMN1; SMN2SLC22A1ALDH1A1DNM1
SCHEMBL28348271 0.91 TSHR (0.34) TSHRSMN1; SMN2SLC22A1ALDH1A1TDP1
SCHEMBL28920922 0.89 ALDH1A1 (0.34) TSHRSMN1; SMN2SLC22A1ALDH1A1TDP1
Bromide SCHEMBL28543161 0.89 DNM1 (0.43) TSHRSMN1; SMN2SLC22A1ALDH1A1DNM1
Water SCHEMBL1396250 0.89 SLC22A1 (0.40) TSHRSMN1; SMN2SLC22A1ALDH1A1DNM1
Water SCHEMBL2161195 0.88 TSHR (0.38) TSHRSMN1; SMN2SLC22A1ALDH1A1TDP1
SCHEMBL6139813 0.86 DNM1 (0.46) TSHRSMN1; SMN2SLC22A1ALDH1A1DNM1
Bromide SCHEMBL29773378 0.85 SLC22A1 (0.39) TSHRSMN1; SMN2SLC22A1ALDH1A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5462849-A Host grain surface portions exhibit a face centered cubic crystal lattice structure containing a hexacoordination complex EASTMAN KODAK COMPANY (US) 1995-10-31 US disclosed
US-5457021-A Having transition metal hexacoordination complex with organic and halide or pseudohalide ligands incorporated into cubic crystal lattice of silver halide grains EASTMAN KODAK COMPANY (US) 1995-10-10 US disclosed
US-5360712-A Forming silver halide in presence of coordination complex, decreased reciprocity failure, desensitization EASTMAN KODAK COMPANY (US) 1994-11-01 US disclosed