SCHEMBL4641072

SCHEMBL4641072

C=CCOP(=O)(O)OOCCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.33
LPAR2 Q9HBW0 4/20 0.33
BTN3A1 O00481 2/20 0.33
LPAR1 Q92633 3/20 0.32
TSHR P16473 1/20 0.32
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL1415000 0.85 BTN3A1 (0.35) LPAR3LPAR2BTN3A1TSHRFNTA
SCHEMBL4641076 0.83 LPAR3 (0.36) LPAR3LPAR2BTN3A1LPAR1TSHR
SCHEMBL28606993 0.78 LPAR3 (0.38) LPAR3LPAR2LPAR1
SCHEMBL28292316 0.78 PPARD (0.35) LPAR3LPAR2BTN3A1TSHR
SCHEMBL28920709 0.77 BTN3A1 (0.40) LPAR3LPAR2BTN3A1LPAR1TSHR
SCHEMBL28985780 0.76 CYP3A4 (0.47) LPAR3LPAR2LPAR1TSHR
SCHEMBL174096 0.76 BTN3A1 (0.40) LPAR3LPAR2BTN3A1TSHRFNTA
SCHEMBL474838 0.75 LPAR3 (0.53) LPAR3LPAR2LPAR1TSHR
SCHEMBL366766 0.75 PPARD (0.39) LPAR3LPAR2BTN3A1TSHRFNTA
Ammonia Solution, Strong SCHEMBL8023938 0.74 BTN3A1 (0.39) LPAR3LPAR2BTN3A1TSHRFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193348-A1 Liquid Transport Member 3M INNOVATIVE PROPERTIES COMPANY 2008-08-14 US disclosed
EP-1883680-A1 LIQUID TRANSPORT MEMBER 3M Innovative Properties Company (US) 2008-02-06 EP disclosed
WO-2006127581-A1 LIQUID TRANSPORT MEMBER 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-30 WO disclosed