SCHEMBL29600952

SCHEMBL29600952

C=C(CC(=O)OCCC)C(=O)OCCCCCCCCCCCC.[Na]

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
RAD52 P43351 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NAAA Q02083 2/20 0.53
FAAH O00519 2/20 0.53
EPHX1 P07099 1/20 0.46
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
ACHE P22303 6/20 0.41

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
SCHEMBL1530994 0.98 TSHR (0.59) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL6658433 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL6657188 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL3128485 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL892067 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL3138822 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL9799832 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL15156604 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL1561906 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH
SCHEMBL3625279 0.95 TSHR (0.62) TSHRRAD52NPSR1NAAAFAAH

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-113603404-B Preparation method and preparation device of aggregate composite cemented concrete for road repairing 广东大禹水利建设有限公司 2022-10-04 CN disclosed
CN-112662313-B Preparation method of polyphosphazene modified polyesterimide water-based heat-conducting coating 安徽喜宝高分子材料有限公司 2022-03-08 CN disclosed