SCHEMBL25515592

SCHEMBL25515592

CC(C)CC(C)(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL107043 0.87 NAAA (0.38) NAAATSHRNPSR1CYP17A1CYP19A1
SCHEMBL25515594 0.86
SCHEMBL13817685 0.85 NAAA (0.40) NAAATSHRNPSR1CYP17A1CYP19A1
SCHEMBL25515698 0.83
SCHEMBL26081300 0.82 TSHR (0.35) NAAATSHRNPSR1
SCHEMBL10228483 0.81 TSHR (0.43) NAAATSHRNPSR1CYP17A1CYP19A1
SCHEMBL25515697 0.81
SCHEMBL19261124 0.81 NAAA (0.36) NAAATSHRNPSR1CYP17A1CYP19A1
SCHEMBL25521627 0.80 TSHR (0.34) NAAATSHRNPSR1
SCHEMBL25607027 0.80 TSHR (0.34) NAAATSHRNPSR1

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-20230152693-A1 CARBOXYLATE, CARBOXYLIC ACID GENERATOR, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-18 US disclosed