SCHEMBL28015397

SCHEMBL28015397

CCCCOCCOCCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
TSHR P16473 2/20 0.60
BTN3A1 O00481 2/20 0.49
LPAR3 Q9UBY5 6/20 0.46
LPAR1 Q92633 5/20 0.46
LPAR2 Q9HBW0 2/20 0.46
MVD P53602 2/20 0.42
LPAR5 Q9H1C0 1/20 0.42

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
SCHEMBL28000129 1.00 CYP3A4 (0.60) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL1081789 0.96 CYP3A4 (0.56) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL249517 0.93 LPAR3 (0.56) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL28989875 0.93 LPAR3 (0.56) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL248003 0.93 LPAR3 (0.56) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL250815 0.93 LPAR3 (0.56) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL10395455 0.92 CYP3A4 (0.64) CYP3A4TSHRBTN3A1LPAR3LPAR1
SCHEMBL11515777 0.88 CYP3A4 (0.69) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2520487 0.88 CYP3A4 (0.69) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL379135 0.88 LPAR3 (0.57) CYP3A4BTN3A1LPAR3LPAR1LPAR2

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
CN-104583250-A Polymerization composition for epoxy acrylic optical material having enhanced storage stability and method for manufacturing epoxy acrylic optical material KOC SOLUTION CO LTD 2015-04-29 CN claimed
CN-104583250-B Propylene oxide acids polymerizable composition for optical material and the preparation method of propylene oxide acids optical material that storage stability is improved 可奥熙搜路司有限公司 2017-07-07 CN disclosed
CN-104583250-A Polymerization composition for epoxy acrylic optical material having enhanced storage stability and method for manufacturing epoxy acrylic optical material KOC SOLUTION CO LTD 2015-04-29 CN disclosed