SCHEMBL29530587

SCHEMBL29530587

C=CC(=O)OC(O)C(C)(C)C(O)OC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL398079 0.86 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22264521 0.79 THRB (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8467643 0.79 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29358998 0.77 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29458068 0.77 ALDH1A1 (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3902627 0.75 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4133127 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6732896 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2853889 0.74 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23494254 0.74 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022213993-A1 COMPOSITION AND APPLICATION THEREOF IN PHOTOELECTRIC FIELD 浙江光昊光电科技有限公司 2022-10-13 WO disclosed
WO-2022214031-A1 MIXTURE AND USE THEREOF IN PHOTOELECTRIC FIELD 浙江光昊光电科技有限公司 2022-10-13 WO disclosed
WO-2022078432-A1 COMPOSITIONS AND USE THEREOF IN PHOTOELECTRIC FIELD 浙江光昊光电科技有限公司 2022-04-21 WO disclosed
WO-2022078456-A1 HIGH POLYMER, COMPOSITION AND ORGANIC PHOTOELECTRIC DEVICE CONTAINING SAME, AND USE THEREOF 浙江光昊光电科技有限公司 2022-04-21 WO disclosed