SCHEMBL9347706

SCHEMBL9347706

C=C(C)C(=O)ONC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.38
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL9347854 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL5554257 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL6826014 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
Bromide SCHEMBL28301716 0.75 ALDH1A1 (0.44) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL21753744 0.75 TSHR (0.41) ALDH1A1TSHRTHRB
Bromide SCHEMBL3916368 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL10625186 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL7153803 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL1398239 0.71
SCHEMBL3208445 0.71 ALDH1A1 (0.44) 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
US-5373052-A Copolymerizing ethylenically unsaturated amine polymer and matrix forming ethylenically unsaturated monomer NIPPON PAINT CO., LTD. (JP) 1994-12-13 US disclosed