SCHEMBL1642946

SCHEMBL1642946

C=CC(=O)OCCC(N)(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 1/20 0.53
THRB P10828 3/20 0.53
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.32
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28428709 0.82 THRB (0.46) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1462384 0.81 TSHR (0.52) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL13160476 0.81 THRB (0.66) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL692055 0.81 ALDH1A1 (0.52) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1015244 0.80 TSHR (0.56) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9635084 0.80 TSHR (0.56) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL23494202 0.79 TSHR (0.55) TSHRHPGDTHRBALDH1A1TP53
Tert-Butylamine SCHEMBL6894627 0.77 TSHR (0.62) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL15277473 0.76 THRB (0.65) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL14665703 0.76 THRB (0.65) TSHRHPGDTHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237468-A1 METHODS FOR BLOCKING UNDERGROUND FORMATIONS BASF SE (DE) 2011-09-29 US claimed
US-20110095227-A1 RETARDED SUPERABSORBENT POLYMERS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-04-28 US claimed
US-8618206-B2 Process for producing water-absorbing polymer particles with low caking tendency and high absorption under pressure BASF SE (DE) 2013-12-31 US disclosed
US-20130187089-A1 Process for Producing Water-Absorbing Polymer Particles with Low Caking Tendency and High Absorption under Pressure BASF SE (DE) 2013-07-25 US disclosed
US-8410221-B2 Process for producing water-absorbing polymer particles with low caking tendency and high absorption under pressure BASF SE (DE) 2013-04-02 US disclosed
US-20120091392-A1 Process for Producing Water-Absorbing Polymer Particles with Low Caking Tendency and High Absorption under Pressure BASF SE (DE) 2012-04-19 US disclosed
US-5773545-A Polymers of alkyl-1-vinylimidazloes, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
US-4362450-A Torque stabilizing method for fasteners and torque stabilized fasteners NIPPON OIL AND FATS CO. LTD. (JP) 1982-12-07 US disclosed