SCHEMBL9505548

SCHEMBL9505548

C=C(C)C(=O)OCCCCCCCC.C=C(C)C(=O)OCCN(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.77
DNM1 Q05193 2/20 0.57
NAAA Q02083 1/20 0.49
THRB P10828 4/20 0.46
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA4 P43681 1/20 0.42
THRA P10827 3/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL29139797 1.00 TSHR (0.77) TSHRDNM1NAAATHRBPOLB
SCHEMBL10939056 1.00 TSHR (0.77) TSHRDNM1NAAATHRBPOLB
SCHEMBL9806862 0.98 TSHR (0.75) TSHRDNM1NAAATHRBPOLB
SCHEMBL28905711 0.98 TSHR (0.74) TSHRDNM1NAAATHRBPOLB
Chloromethane SCHEMBL3318985 0.97 TSHR (0.73) TSHRDNM1NAAATHRBPOLB
Methacrylic Acid SCHEMBL10508765 0.95 TSHR (0.71) TSHRDNM1NAAATHRBPOLB
Hexadecane SCHEMBL5163754 0.95 TSHR (0.69) TSHRDNM1NAAATHRBPOLB
SCHEMBL3366486 0.94 TSHR (0.69) TSHRDNM1NAAATHRBPOLB
SCHEMBL9767545 0.94 TSHR (0.69) TSHRDNM1NAAATHRBPOLB
SCHEMBL8424369 0.93 TSHR (0.66) TSHRDNM1NAAATHRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243177-B1 CATALYTIC PRODUCTION OF POLYAMIDE BLOCK COPOLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-07 EP disclosed
US-4775721-A Process for producing polyamide block copolymer SUMIMOTO CHEMICAL COMPANY, LIMITED (JP) 1988-10-04 US disclosed
EP-0243177-A1 Catalytic production of polyamide block copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-28 EP disclosed