SCHEMBL5366041

SCHEMBL5366041

C=C(C)C(=O)OC.C=C(C)C(=O)OC(O)CC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 4/20 0.42
THRB P10828 1/20 0.36

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
SCHEMBL25040 0.92 TSHR (0.43) ALDH1A1TSHRTHRB
SCHEMBL28381594 0.90 TSHR (0.42) ALDH1A1TSHRTHRB
Methane SCHEMBL7698380 0.90 TSHR (0.42) ALDH1A1TSHRTHRB
Alcohol SCHEMBL247501 0.88 TSHR (0.41) ALDH1A1TSHRTHRB
Methacrylic Acid SCHEMBL10953670 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
Methacrylic Acid SCHEMBL10956923 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
Methacrylic Acid SCHEMBL5369165 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
Trimethylammonium SCHEMBL7056227 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL4920106 0.85 TSHR (0.42) ALDH1A1TSHRTHRB
Ether SCHEMBL28434783 0.85 THRB (0.48) ALDH1A1TSHRTHRB

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-2007146909-A2 OPTICAL BRIGHTER AND UV STABILIZER FOR ACRYLIC ENHANCEMENTS ESSCHEM, INC. (US) 2007-12-21 WO disclosed