SCHEMBL27780693

SCHEMBL27780693

C=C(C)C(=O)OCC1CO1.C=Cc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MGLL Q99685 6/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL3805892 0.92 ALDH1A1 (0.68) ALDH1A1MGLLCYP3A4CYP2D6TSHR
Ethylene SCHEMBL28219719 0.91 ALDH1A1 (0.66) ALDH1A1MGLLCYP3A4CYP2D6TSHR
SCHEMBL28219720 0.89 ALDH1A1 (0.62) ALDH1A1MGLLCYP3A4CYP2D6TSHR
Styrene SCHEMBL27895306 0.87 ALDH1A1 (0.59) ALDH1A1MGLLCYP3A4CYP2D6TSHR
SCHEMBL9637139 0.86 ALDH1A1 (0.58) ALDH1A1MGLLCYP3A4CYP2D6TSHR
Methacrylic Acid SCHEMBL28339301 0.86 ALDH1A1 (0.58) ALDH1A1MGLLCYP3A4CYP2D6TSHR
SCHEMBL7040344 0.86 ALDH1A1 (0.58) ALDH1A1MGLL
SCHEMBL6248386 0.84 ALDH1A1 (0.56) ALDH1A1MGLLTSHR
SCHEMBL15902024 0.84 ALDH1A1 (0.56) ALDH1A1MGLLCYP3A4CYP2D6TSHR
Styrene SCHEMBL10914482 0.84 ALDH1A1 (0.66) ALDH1A1MGLLCYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101538348-B Active energy ray solidification type resin composition using reactivity compound with fire retardance and condensate thereof NIPPON KAYAKU KK 2012-11-07 CN disclosed
CN-101538348-A Active energy ray solidification type resin composition using reactivity compound with fire retardance and condensate thereof NIPPON KAYAKU KK 2009-09-23 CN disclosed