SCHEMBL29943151

SCHEMBL29943151

C=C(C)C(=O)OCCCCCC(C)C.CCC=C(CCCCCC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.55
▸ APEX1 P27695 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HCAR2 Q8TDS4 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ DGKA P23743 1/20 0.33
▸ PLA2G2A P14555 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
SCHEMBL10781201 0.92 TSHR (0.65) TSHRAPEX1POLBHTTTDP1
SCHEMBL29942887 0.85 TSHR (0.48) TSHRAPEX1HCAR2FFAR4FFAR1
Acrylic Acid SCHEMBL11783304 0.84 TSHR (0.65) TSHRAPEX1POLBHTTTDP1
SCHEMBL7736289 0.84 TSHR (0.77) TSHRAPEX1POLBHTTTDP1
SCHEMBL2912477 0.84 TSHR (0.77) TSHRAPEX1POLBHTTTDP1
SCHEMBL31207506 0.84 TSHR (0.77) TSHRAPEX1POLBHTTTDP1
SCHEMBL9658227 0.84 TSHR (0.77) TSHRAPEX1POLBHTTTDP1
SCHEMBL29580544 0.81 TSHR (0.72) TSHRAPEX1POLBHTTTDP1
SCHEMBL3863278 0.81 TSHR (0.55) TSHRAPEX1POLBHTTTDP1
Methacrylic Acid SCHEMBL28157465 0.80 TSHR (0.58) TSHRAPEX1POLBHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113130113-B Conductive material composition and conductive material prepared from same 财团法人工业技术研究院 2022-10-28 — — CN disclosed
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