SCHEMBL5958652

SCHEMBL5958652

C=C(C)C(=O)OCC(OP(=O)(OC(COC(=O)C(=C)C)c1ccccc1)OC(COC(=O)C(=C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.41
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM4 P08173 2/20 0.36
ELANE P08246 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3684751 0.90 TSHR (0.42) TSHRHPGDPABPC1APOBEC3AAPOBEC3G
SCHEMBL57281 0.84 TSHR (0.47) TSHRHPGDPABPC1APOBEC3AAPOBEC3G
SCHEMBL15864686 0.81 TSHR (0.45) TSHRHPGDPABPC1APOBEC3AAPOBEC3G
Ethylene Glycol SCHEMBL21772119 0.80 TSHR (0.44) TSHRHPGDPABPC1APOBEC3AAPOBEC3G
SCHEMBL3180135 0.80 TSHR (0.53) TSHRHPGDCYP1A2CYP2D6SMN1; SMN2
SCHEMBL942086 0.78 THRB (0.44) TSHRCYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL13078884 0.78 TSHR (0.41) TSHRHPGDPABPC1APOBEC3AAPOBEC3G
SCHEMBL296808 0.77 TSHR (0.55) TSHRHPGDCYP1A2CYP2D6SMN1; SMN2
SCHEMBL1685754 0.77 TSHR (0.50) TSHRHPGDCYP1A2CYP2D6SMN1; SMN2
SCHEMBL11420153 0.77 THRB (0.45) TSHRHPGDPABPC1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023190288-A1 MOLDED BODY 積水化学工業株式会社 2023-10-05 WO disclosed
WO-2023190294-A1 THERMALLY EXPANDABLE MICROCAPSULES 積水化学工業株式会社 2023-10-05 WO disclosed
EP-1051961-B1 Bonding compositions for dental use KURARAY CO (JP) 2006-02-22 EP disclosed
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
US-20020061938-A1 Bonding composition KURARAY CO., LTD. (JP) 2002-05-23 US disclosed
US-6387979-B1 FOR TOOTH TISSUE KURARAY CO., LTD. (JP) 2002-05-14 US disclosed
EP-1051961-A1 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2000-11-15 EP disclosed