SCHEMBL7028149

SCHEMBL7028149

C=C(O)C(=O)OCCC.C=C(O)C(=O)OCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 4/20 0.46
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL198128 0.96 TSHR (0.59) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9641956 0.93 TSHR (0.68) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL45789 0.91
SCHEMBL5953828 0.89 TSHR (0.68) TSHRALDH1A1HPGDATMHCAR2
Propene SCHEMBL28322950 0.88 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL8398453 0.88 TSHR (0.71) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL11761835 0.88 TSHR (0.71) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL2288064 0.88 TSHR (0.71) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL16538565 0.88 TSHR (0.71) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL2950940 0.88 TSHR (0.71) TSHRALDH1A1HCAR2NAAARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023412-B1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMER, A SILANE FUNCTIONAL ACRYLIC POLYMER AND A TRIAZINE DU PONT (US) 2003-01-15 EP disclosed
US-6350526-B1 COATING FOR FILM WITH BINDER AND CORE234 E. I. DU PONT DE NEMOURS AND COMPANY 2002-02-26 US disclosed
EP-1023412-A1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMER, A SILANE FUNCTIONAL ACRYLIC POLYMER AND A TRIAZINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-02 EP disclosed
EP-0595286-B1 Organic solvent dispersible polyamide modified resins for use in coating compositions BASF CORP (US) 1999-05-06 EP disclosed
WO-1999019411-A1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMER, A SILANE FUNCTIONAL ACRYLIC POLYMER AND A TRIAZINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-22 WO disclosed