SCHEMBL3308977

SCHEMBL3308977

C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCN(CC)CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 5/20 0.42
SCN1A P35498 4/20 0.42
SCN2A Q99250 4/20 0.42
SCN3A Q9NY46 4/20 0.42
CYP1A2 P05177 4/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
RAD52 P43351 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.40

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
SCHEMBL11135724 0.94 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28499275 0.94 TSHR (0.75) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28273630 0.91 THRB (0.55) TSHRTHRBALDH1A1POLBCYP2D6
SCHEMBL14874 0.91 THRB (0.55) TSHRTHRBALDH1A1POLBCYP2D6
SCHEMBL6393908 0.90 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4635102 0.90 TSHR (0.65) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28655092 0.90 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9800939 0.90 THRB (0.53) TSHRTHRBALDH1A1POLBCYP2D6
SCHEMBL22684899 0.90 THRB (0.53) TSHRTHRBALDH1A1POLBCYP2D6
Hydrochloric Acid SCHEMBL2847352 0.90 THRB (0.53) TSHRTHRBALDH1A1POLBTDP1

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-20100113984-A1 Geometrically shaped hydrogel standoffs for coupling high intensity focused ultrasound LEONETTI JOSEPH A 2010-05-06 US disclosed
US-20060058705-A1 Geometrically shaped hydrogel standoffs for coupling high intensity focused ultrasound UST INC. 2006-03-16 US disclosed
EP-0241160-B1 Developing method TOSHIBA KK (JP) 1994-02-23 EP disclosed
US-5236785-A Surface layer containing copolymer consisting of acrylic monomer having carboxyl group and acrylic monomer having amine and ester groups TOMOEGAWA PAPER CO., LTD. (JP) 1993-08-17 US disclosed
US-4833059-A LATENT IMAGES KABUSHIKI KAISHA TOSHIBA (JP) 1989-05-23 US disclosed
EP-0232442-B1 IMPROVED BLOOD-PURIFYING MEMBRANE AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-04-26 EP disclosed
US-4787977-A REGENERATED CELLULOSE WITH AMINO CONTAINING POLYMERIC COATING ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-11-29 US disclosed
EP-0232442-A1 Improved blood-purifying membrane and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-08-19 EP disclosed