SCHEMBL25527459

SCHEMBL25527459

CCC(CC)(CC(=O)O)OC(=O)CS

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL25527302 0.85 ACE (0.33) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL12533531 0.81 TSHR (0.42) TSHRHSD17B10
SCHEMBL25946689 0.80 HMGCR (0.33) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL12533544 0.76 TSHR (0.38) TSHRHSD17B10
SCHEMBL25527406 0.75 TSHR (0.41) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL12533542 0.73 TSHR (0.35) TSHRHSD17B10
SCHEMBL12533539 0.73 TSHR (0.35) TSHRHSD17B10
SCHEMBL9083958 0.73 HMGCR (0.41) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL1849070 0.72 TSHR (0.46) TSHRHSD17B10
SCHEMBL2967813 0.71 GAA (0.43) TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed