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SCHEMBL19418243

SCHEMBL19418243

C=C(C)C(=O)OCCCCCCCCCC(OP(=O)(O)O)P(O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ SMPD1 P17405 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ PTPN1 P18031 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
SCHEMBL19417973 1.00 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19417963 0.88 LPAR1 (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19409698 0.83 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19405753 0.81 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19405710 0.81 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20247765 0.77 SMPD1 (0.35) SMPD1
SCHEMBL19418274 0.77 TLR2 (0.33) SMPD1
SCHEMBL19405762 0.77 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19409701 0.77 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL328746 0.77 TSHR (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225228-B1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON IVOCLAR VIVADENT AG (LI) 2018-06-13 — — EP disclosed
EP-3225228-A1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON Ivoclar Vivadent AG (LI) 2017-10-04 — — EP disclosed