SCHEMBL22471728

SCHEMBL22471728

C=CC(=O)OC(CCCCCCCCCCCCCCCCC)OP(=O)(OC(CCCCCCCCCCCCCCCCC)OC(=O)C=C)OC(CCCCCCCCCCCCCCCCC)OC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.50
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
FDPS P14324 3/20 0.39
S1PR2 O95136 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 4/20 0.37
LMNA P02545 2/20 0.37
LAP3 P28838 1/20 0.37
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36

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
SCHEMBL22471727 1.00 SMPD1 (0.50) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL22471720 1.00 SMPD1 (0.50) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL22471725 1.00 SMPD1 (0.50) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL6783957 0.98 SMPD1 (0.47) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL6791402 0.94 TSHR (0.46) SMPD1TSHRHPGDFDPSLMNA
SCHEMBL23581995 0.90 SMPD1 (0.66) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL21541950 0.90 SMPD1 (0.66) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL22471729 0.90 SMPD1 (0.66) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL22129973 0.90 SMPD1 (0.66) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL21496268 0.90 SMPD1 (0.66) SMPD1TSHRHPGDFDPSS1PR2

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
WO-2020194978-A1 SURFACE TREATMENT COMPOSITION, METHOD FOR MANUFACTURING SAME, SURFACE TREATMENT METHOD, AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE 株式会社フジミインコーポレーテッド 2020-10-01 WO disclosed