SCHEMBL6824352

SCHEMBL6824352

C=C(C)C(=O)OC(C)CCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 4/20 0.38
THRB P10828 1/20 0.37
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
FAAH O00519 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
SLC15A2 Q16348 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
SCHEMBL10314650 0.88 TSHR (0.44) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2540758 0.87 TSHR (0.50) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL2974754 0.86 TSHR (0.42) TSHRALDH1A1BLMLMNASLC15A2
SCHEMBL25518241 0.83 ALDH1A1 (0.43) TSHRALDH1A1FAAHMAPTLMNA
SCHEMBL23494300 0.82 TSHR (0.50) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL437295 0.82 TSHR (0.45) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL28572398 0.82 FAAH (0.46) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL744318 0.82 TSHR (0.45) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL29257398 0.82 TSHR (0.41) TSHRALDH1A1THRBLMNASLC15A2
SCHEMBL27635138 0.82 TSHR (0.45) TSHRALDH1A1THRBCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208392-B1 PROCESS FOR THE MANUFACTURE OF A CROSSLINKED, TRANSPARENT, HYDROPHILIC AND PHOTOCHROMIC POLYMERIC MATERIAL, AND OPTICAL AND OPHTHALMIC ARTICLE OBTAINED ESSILOR INT (FR) 2004-09-22 EP disclosed
EP-1208392-A1 PROCESS FOR THE MANUFACTURE OF A CROSSLINKED, TRANSPARENT, HYDROPHILIC AND PHOTOCHROMIC POLYMERIC MATERIAL, AND OPTICAL AND OPHTHALMIC ARTICLE OBTAINED ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-05-29 EP disclosed
US-6224945-B1 IMPREGNATING POLYMER WITH PHOTOCHROMIC DYE SOLUTION AND SOLVENT; DESOLVENTIZING WITH AN AQUEOUS SOLUTION RINSE AND RECOVERING; CONTACT LENSES; STABILITY; NONDIFFUSING; NONTOXIC; THERMAL STERILIZATION ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-05-01 US disclosed
WO-2001009645-A1 PROCESS FOR THE MANUFACTURE OF A CROSSLINKED, TRANSPARENT, HYDROPHILIC AND PHOTOCHROMIC POLYMERIC MATERIAL, AND OPTICAL AND OPHTHALMIC ARTICLE OBTAINED ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-02-08 WO disclosed