SCHEMBL9068417

SCHEMBL9068417

C=C(C)C(=O)OCCCCOC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
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 0.32
ALDH1A1 P00352 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9067673 0.97 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9067567 0.92 THRB (0.41) TSHRTHRBSMPD1ALDH1A1GALR3
SCHEMBL9067328 0.86 TSHR (0.38) TSHRTHRBSMPD1ALDH1A1GALR3
SCHEMBL6276269 0.82 THRB (0.39) TSHRTHRBALDH1A1GALR3MAPT
SCHEMBL541372 0.82 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28062034 0.81 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541106 0.81 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541808 0.81 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541861 0.80 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27624717 0.80 BTN3A1 (0.33) TSHRSMPD1

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
EP-0537972-B1 Treating solution for contact lenses NOF CORP (JP) 1996-07-10 EP claimed
US-5461433-A Cleaning contact lens by immersing in solution containing copolymer where one of the monomers contains phsophate and tertiary ammonium groups NOF CORPORATION (JP) 1995-10-24 US claimed
EP-0537972-A1 Treating solution for contact lenses NOF CORPORATION (JP) 1993-04-21 EP claimed
EP-0537972-B1 Treating solution for contact lenses NOF CORP (JP) 1996-07-10 EP disclosed
US-5461433-A Cleaning contact lens by immersing in solution containing copolymer where one of the monomers contains phsophate and tertiary ammonium groups NOF CORPORATION (JP) 1995-10-24 US disclosed
EP-0537972-A1 Treating solution for contact lenses NOF CORPORATION (JP) 1993-04-21 EP disclosed