SCHEMBL16744306

SCHEMBL16744306

CCOP(=O)(OCCO)OCCOP(=O)(OCC)OCCO

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
PPARD Q03181 2/20 0.48
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL992694 0.98 TSHR (0.65) TSHRPPARDCYP3A4ALDH1A1TP53
SCHEMBL17770840 0.94 TSHR (0.54) TSHRPPARDCYP3A4ALDH1A1TP53
Ethylamine SCHEMBL28209494 0.91 TSHR (0.56) TSHRPPARDCYP3A4ALDH1A1TP53
SCHEMBL10416347 0.89 TSHR (0.55) TSHRPPARDCYP3A4ALDH1A1TP53
SCHEMBL8962338 0.87 TSHR (0.81) TSHRPPARDCYP3A4ALDH1A1TP53
Triethyl Phosphate SCHEMBL28143347 0.85 TSHR (0.77) TSHRPPARDCYP3A4TP53TDP1
SCHEMBL632894 0.84 ALDH1A1 (0.50) TSHRPPARDCYP3A4ALDH1A1MEN1
SCHEMBL28733159 0.84 TSHR (0.48) TSHRPPARDCYP3A4MEN1GAA
SCHEMBL28651252 0.84 TSHR (0.59) TSHRPPARDCYP3A4ALDH1A1TP53
SCHEMBL28739951 0.83 CYP3A4 (0.54) TSHRPPARDCYP3A4ALDH1A1MEN1

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
US-9994773-B2 Flame retardant block copolymers from renewable feeds INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-12 US disclosed
US-9738832-B2 Flame retardant block copolymers from renewable feeds INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-22 US disclosed
US-20160237352-A1 FLAME RETARDANT BLOCK COPOLYMERS FROM RENEWABLE FEEDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-08-18 US disclosed
US-20160237353-A1 FLAME RETARDANT BLOCK COPOLYMERS FROM RENEWABLE FEEDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-08-18 US disclosed
US-9346922-B2 Flame retardant block copolymers from renewable feeds INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-05-24 US disclosed
US-20150148499-A1 FLAME RETARDANT BLOCK COPOLYMERS FROM RENEWABLE FEEDS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-05-28 US disclosed