SCHEMBL20135807

SCHEMBL20135807

C=C(C)C(=O)OCC(OCC)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 4/20 0.44
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
GLO1 Q04760 1/20 0.31

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
SCHEMBL269872 0.91 THRB (0.46) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL10401254 0.89 THRB (0.44) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL1779171 0.82 THRB (0.48) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL268178 0.82 THRB (0.48) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL580728 0.81 THRB (0.47) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL3705485 0.81 THRB (0.56) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL691683 0.80 TDP1 (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL942089 0.79 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9558554 0.79 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9199271 0.79 ALDH1A1 (0.52) THRBTSHRALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113736010-B Polymer dispersant and application thereof in surface treatment of halogenated phthalocyanine pigment 山东凯瑞尔光电科技有限公司 2023-04-07 CN disclosed
CN-113736010-A Polymer dispersant and application thereof in surface treatment of halogenated phthalocyanine pigment 山东凯瑞尔光电科技有限公司 2021-12-03 CN disclosed
US-10947402-B2 Solder mask inkjet inks for manufacturing printed circuit boards AFGA-GEVAERT NV (BE) 2021-03-16 US disclosed
EP-3321331-B1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA GEVAERT (BE) 2020-10-21 EP disclosed
WO-2018087059-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT N.V. (BE) 2018-05-17 WO disclosed
EP-3321331-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT (BE) 2018-05-16 EP disclosed