SCHEMBL9683138

SCHEMBL9683138

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C=C(C)C(=O)O)C(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.41
THRB P10828 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 3/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FAAH O00519 1/20 0.31
EPHX1 P07099 1/20 0.30
RECQL P46063 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
SCHEMBL459709 0.99 TSHR (0.50) TSHRALDH1A1THRBPOLBTDP1
Acrylic Acid SCHEMBL11794147 0.94 TSHR (0.46) TSHRALDH1A1THRBPOLBTDP1
SCHEMBL7974868 0.93 TSHR (0.59) TSHRALDH1A1THRBPOLBTDP1
SCHEMBL7730836 0.90 TSHR (0.67) TSHRALDH1A1THRBPOLBTDP1
SCHEMBL9436100 0.90 TSHR (0.54) TSHRALDH1A1THRBPOLBTDP1
Methacrylic Acid SCHEMBL725335 0.90 TSHR (0.51) TSHRALDH1A1THRBPOLBTDP1
SCHEMBL168598 0.90 TSHR (0.50) TSHRALDH1A1THRBPOLBTDP1
Methacrylic Acid SCHEMBL8949820 0.88 TSHR (0.51) TSHRALDH1A1THRBPOLBTDP1
SCHEMBL7871827 0.88 TSHR (0.43) TSHRALDH1A1THRBPOLBTDP1
SCHEMBL10531571 0.88 ALDH1A1 (0.42) TSHRALDH1A1THRBPOLBTDP1

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
US-5143788-A Molded composite for automobile exteriors doesn't need painting E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-01 US disclosed
US-5122552-A A curable mixture of an epoxy compound and a polyesterurethane having a carboxy-containing diol as a monomer; automobile finishes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-16 US disclosed
US-5000809-A Laminate thermoformed to form a composite a polyesterurethane and a multifunctional crosslinking agent of an epoxy and an or ganic polyisocyanate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-19 US disclosed