SCHEMBL9067328

SCHEMBL9067328

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
SMPD1 P17405 3/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 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
SCHEMBL9067567 0.89 THRB (0.41) TSHRALDH1A1THRBSMPD1CHRM1
SCHEMBL9067673 0.86 TSHR (0.41) TSHRALDH1A1THRBSMPD1GALR3
SCHEMBL9068417 0.86 TSHR (0.44) TSHRALDH1A1THRBSMPD1GALR3
SCHEMBL28151164 0.83 TSHR (0.37) TSHRALDH1A1SMPD1CHRM2CHRM4
SCHEMBL27624717 0.78 BTN3A1 (0.33) TSHRSMPD1CHRM2CHRM4CHRM1
SCHEMBL6276269 0.78 THRB (0.39) TSHRALDH1A1THRBGALR3MAPT
SCHEMBL176508 0.75 THRB (0.38) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL27557630 0.74 SMPD1 (0.43) TSHRSMPD1CHRM2CHRM4CHRM1
SCHEMBL541861 0.73 TSHR (0.42) TSHRALDH1A1THRBSMPD1GALR3
Methacrylic Acid SCHEMBL3884365 0.72 SMN1; SMN2 (0.36) TSHRALDH1A1THRBGALR3MAPT

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