SCHEMBL6906500

SCHEMBL6906500

C=CC(=O)OC1(C)CCCCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
TSHR P16473 6/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL685581 1.00 CYP19A1 (0.39) CYP19A1TSHRHPGDALDH1A1TP53
SCHEMBL75604 1.00 CYP19A1 (0.39) CYP19A1TSHRHPGDALDH1A1TP53
SCHEMBL14557144 1.00 CYP19A1 (0.39) CYP19A1TSHRHPGDALDH1A1TP53
SCHEMBL685818 1.00 CYP19A1 (0.39) CYP19A1TSHRHPGDALDH1A1TP53
Ethylene SCHEMBL27829154 0.98 CYP19A1 (0.38) CYP19A1TSHRHPGD
SCHEMBL685834 0.98 CYP19A1 (0.37) CYP19A1TSHRHPGDALDH1A1TP53
SCHEMBL673387 0.94 TSHR (0.33) CYP19A1TSHRHPGDALDH1A1TP53
Maleic Acid SCHEMBL28793659 0.91 HCAR2 (0.35) CYP19A1TSHRTP53
Methacrylic Acid SCHEMBL27616774 0.89 CYP19A1 (0.34) CYP19A1
Crotonic Acid SCHEMBL28793677 0.87 CYP19A1 (0.33) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004041770-A1 CHEMICALLY AMPLIFIED POLYMER HAVING PENDANT GROUP WITH CYCLODODECYL AND RESIST COMPOSITION COMPRISING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2004-05-21 WO disclosed