SCHEMBL7073886

SCHEMBL7073886

C=C(C)C(=O)OCCCCCCOP(=O)(O)OCCCCOC(=O)C(=C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.62
▸ POLB P06746 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ THRB P10828 1/20 0.46
▸ LPAR3 Q9UBY5 4/20 0.40
▸ LPAR2 Q9HBW0 3/20 0.40
▸ LPAR1 Q92633 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ BTN3A1 O00481 1/20 0.40
▸ P2RY10 O00398 4/20 0.38
▸ GPR34 Q9UPC5 2/20 0.38

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
SCHEMBL15172 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16142 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3447994 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3447377 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15881 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL346466 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
Ammonia Solution, Strong SCHEMBL18139905 0.98 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL345781 0.98 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
Ammonia Solution, Strong SCHEMBL18140012 0.96 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15412 0.95 TSHR (0.55) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750268-B2 FOR TEETH, BONDING STRENGTH; POLYMERIZABLE ACID COMPOUND WHOSE CALCIUM SALT IS WATER INSOLUBLE, A WATER-SOLUBLE FILM-FORMING AGENT MISCIBLE WITH SALINE SOLUTION, WATER, AND A CURING AGENT; USE DIRECTLY KURARAY CO., LTD. (JP) 2004-06-15 — — US disclosed
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