SCHEMBL7490141

SCHEMBL7490141

CCCCOP(=O)(OCCCC)OCCCC.[Ti]

nearest known ligand 0.94

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.94
TSHR P16473 2/20 0.70
LPAR3 Q9UBY5 3/20 0.50
LPAR1 Q92633 2/20 0.50
LPAR2 Q9HBW0 2/20 0.50
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL27895927 0.97 CYP3A4 (1.00) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL1020179 0.97 CYP3A4 (1.00) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL18570 0.97 CYP3A4 (1.00) CYP3A4TSHRLPAR3LPAR1LPAR2
Water SCHEMBL11499396 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL11131464 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL15754977 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL30973632 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2
Ammonia Solution, Strong SCHEMBL6623297 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2
Butane SCHEMBL20873585 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2
Hydrochloric Acid SCHEMBL2023260 0.94 CYP3A4 (0.94) CYP3A4TSHRLPAR3LPAR1LPAR2

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
CN-102876113-B Inkjet ink and printing methods KISHU GIKEN KOGYO CO LTD 2015-06-24 CN disclosed
CN-102876113-A Inkjet ink and printing methods KISHU GIKEN KOGYO CO LTD 2013-01-16 CN disclosed
EP-0739392-B1 INK JET INKS DOMINO PRINTING SCIENCES PLC (GB) 2002-10-02 EP disclosed
US-5998502-A BLEND CONTAINING A POLYAMIDE DOMINO UK LIMITED (GB) 1999-12-07 US disclosed
EP-0739392-A1 INK JET INKS DOMINO PRINTING SCIENCES PLC (GB) 1996-10-30 EP disclosed
WO-1995019401-A1 INK JET INKS DOMINO PRINTING SCIENCES PLC (GB) 1995-07-20 WO disclosed