SCHEMBL8000190

SCHEMBL8000190

CCCCN(CCCC)CCCC.CCCCNCC.CCCCNCCCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 1/20 0.48
KDM1A O60341 5/20 0.43
SAT1 P21673 3/20 0.41
PAOX Q6QHF9 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
KDM5A P29375 1/20 0.35

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
SCHEMBL9301514 0.93 TSHR (0.55) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL11749668 0.90 TSHR (0.52) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL17356135 0.90 TSHR (0.52) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL6662975 0.88 TSHR (0.64) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL8345906 0.88 TSHR (0.50) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL8009387 0.88 TSHR (0.50) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL19844311 0.88 TSHR (0.55) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL1087132 0.87 TSHR (0.55) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL6142226 0.86 TSHR (0.48) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL10896661 0.86 TSHR (0.55) TSHRCYP2C19CYP1A2ALDH1A1PAOX

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
EP-0776262-A4 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY METALS INC (US) 2000-01-26 EP disclosed
EP-0776262-A1 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY'S METALS, INC. (US) 1997-06-04 EP disclosed
WO-1996007503-A1 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY'S METALS, INC. (US) 1996-03-14 WO disclosed