SCHEMBL9813767

SCHEMBL9813767

C=CC(=O)OCC1CCCO1.C=CC(=O)OCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
MGLL Q99685 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8652517 0.99 TSHR (0.53) TSHRHPGDLMNAPOLBALDH1A1
Triethylene Glycol SCHEMBL5811824 0.91 TSHR (0.43) TSHRHPGDLMNAPOLBALDH1A1
SCHEMBL28269925 0.91 TSHR (0.49) TSHRHPGDLMNAPOLBALDH1A1
SCHEMBL28120630 0.91 TSHR (0.49) TSHRHPGDLMNAPOLBALDH1A1
Tetraethylene Glycol SCHEMBL5811827 0.89 TSHR (0.41) TSHRHPGDLMNAPOLBALDH1A1
SCHEMBL30929360 0.88 HCAR2 (0.51) LMNAPOLBALDH1A1MGLLHCAR2
SCHEMBL4176821 0.87 TSHR (0.53) TSHRHPGDLMNAPOLBALDH1A1
SCHEMBL5066144 0.87 TSHR (0.39) TSHRHPGDLMNAPOLBALDH1A1
Propane SCHEMBL28178773 0.87 LMNA (0.54) LMNAPOLBALDH1A1MGLL
SCHEMBL27697898 0.86 TSHR (0.50) TSHRHPGDLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368367-A Radiation-curable ink-jet ink suitable for glass, ceramics or metal 图像电子公司 2018-08-03 CN disclosed
EP-0187045-B1 RADIATION CURABLE MACROMONOMER PRINTING INKS ELF ATOCHEM S.A. (FR) 1991-07-31 EP disclosed