SCHEMBL28654573

SCHEMBL28654573

CCCCOCCOP(O)(O)=S

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 14/20 0.63
LPAR2 Q9HBW0 11/20 0.63
TSHR P16473 2/20 0.57
CYP3A4 P08684 1/20 0.57
LPAR1 Q92633 9/20 0.52
LPAR6 P43657 3/20 0.51
LPAR4 Q99677 3/20 0.51
LPAR5 Q9H1C0 3/20 0.51
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL28668970 0.98 LPAR3 (0.61) LPAR3LPAR2TSHRCYP3A4LPAR1
SCHEMBL28650356 0.87 TSHR (0.57) LPAR3LPAR2TSHRCYP3A4LPAR1
SCHEMBL28663797 0.86 LPAR3 (0.56) LPAR3LPAR2TSHRCYP3A4LPAR1
SCHEMBL39567 0.86
Ammonia Solution, Strong SCHEMBL30271665 0.85 TSHR (0.55) LPAR3LPAR2TSHRCYP3A4LPAR1
Ammonia Solution, Strong SCHEMBL28648519 0.84 LPAR3 (0.54) LPAR3LPAR2TSHRCYP3A4LPAR1
Ammonia Solution, Strong SCHEMBL28686903 0.84 LPAR3 (0.78) LPAR3LPAR2CYP3A4LPAR1LPAR6
SCHEMBL29227370 0.84 LPAR3 (0.78) LPAR3LPAR2CYP3A4LPAR1LPAR6
SCHEMBL29727520 0.83 LPAR3 (0.84) LPAR3LPAR2LPAR1LPAR6LPAR4
Benzene SCHEMBL11780029 0.80 LPAR3 (0.72) LPAR3LPAR2CYP3A4LPAR1LPAR6

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-113680535-B Alkyl ether group dithiophosphate collecting agent and preparation method and application thereof 中南大学 2023-03-21 CN disclosed
CN-113680535-A Alkyl ether group dithiophosphate collecting agent and preparation method and application thereof 中南大学 2021-11-23 CN disclosed