SCHEMBL9300841

SCHEMBL9300841

CC(=O)OC(C(=O)Cl)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL15285144 0.79 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8596374 0.79 TSHR (0.40) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL17476047 0.79 TSHR (0.40) TSHRTDP1CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL9300845 0.77 TSHR (0.39) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL9162000 0.76 ACHE (0.31)
SCHEMBL4382076 0.70 TSHR (0.46) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL27937250 0.70 TSHR (0.46) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL8760081 0.69 TSHR (0.50) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL29031303 0.69 TSHR (0.43) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL92811 0.69 TSHR (0.50) TSHRTDP1CHRM2CHRM4CHRM1

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
JP-6263695-A None JP disclosed
JP-6065157-A None JP disclosed
JP-H06263695-A METHOD FOR RACEMIZING OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE JAPAN ENERGY CORP 1994-09-20 JP disclosed
JP-H0665157-A NEW TRIFLUOROLACTIC ACID HALIDE AND ITS PRODUCTION JAPAN ENERGY CORP 1994-03-08 JP disclosed