SCHEMBL2201756

SCHEMBL2201756

O=C(CCCC(=O)OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CA4 P22748 1/20 0.43
PEPD P12955 1/20 0.39
ENPP2 Q13822 6/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR6 P43657 1/20 0.34
LPAR4 Q99677 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
FDPS P14324 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
TPI1 P60174 1/20 0.31

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
SCHEMBL27725186 0.92 CA4 (0.42) TSHRCA4PEPDENPP2LPAR3
Ammonia Solution, Strong SCHEMBL1408904 0.92 CA4 (0.42) TSHRCA4PEPDENPP2LPAR3
SCHEMBL285627 0.88 CA4 (0.48) TSHRCA4PEPDFDPSBLM
SCHEMBL59833 0.87 CAMK2A (0.40) TSHRCA4PEPDENPP2LPAR3
SCHEMBL27473070 0.86 CA4 (0.46) TSHRCA4PEPDFDPSBLM
SCHEMBL1643232 0.86 CA4 (0.46) TSHRCA4PEPDFDPSBLM
Phosphoric Acid SCHEMBL29193619 0.85 CAMK2A (0.39) TSHRCA4PEPDENPP2LPAR3
SCHEMBL4637032 0.85 LMNA (0.50) TSHRBLMTDP1SLC22A6
SCHEMBL4540987 0.85 LPAR3 (0.45) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL29070907 0.85 CYP1A2 (0.48) TSHRCA4FDPSBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1264007-B1 Metal oxides dispersant composition ASHLAND LICENSING & INTELLECTU (US) 2011-07-20 EP disclosed
US-7857989-B2 Metal oxides dispersant composition ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2010-12-28 US disclosed
US-20070151927-A1 METAL OXIDES DISPERSANT COMPOSITION ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-07-05 US disclosed
US-7204937-B2 Metal oxides dispersant composition ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-04-17 US disclosed
US-20030129078-A1 Metal oxides dispersant composition ASHLAND INC. 2003-07-10 US disclosed
US-20030085175-A1 Metal oxides dispersant composition BEARDWOOD EDWARD S (CA) 2003-05-08 US disclosed