SCHEMBL25844789

SCHEMBL25844789

CC(C)(I)C(=O)OC12CC3CC(C1)CC(C(=O)OCC(F)(F)CS(=O)(=O)O)(C3)C2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL25844791 0.90 NPSR1 (0.38) NPSR1
SCHEMBL25844986 0.90 NPSR1 (0.35) NPSR1ALDH1A1
SCHEMBL25844796 0.81 NPSR1 (0.41) NPSR1ALDH1A1
SCHEMBL25844795 0.81 NPSR1 (0.34) NPSR1ALDH1A1
SCHEMBL26437475 0.80 NPSR1 (0.38) NPSR1ALDH1A1
SCHEMBL25844989 0.80 NPSR1 (0.38) NPSR1ALDH1A1
SCHEMBL13485617 0.79 ALDH1A1 (0.48) NPSR1ALDH1A1
SCHEMBL18785950 0.79 NPSR1 (0.38) NPSR1ALDH1A1
SCHEMBL13485618 0.78 ALDH1A1 (0.42) NPSR1ALDH1A1
SCHEMBL25844757 0.78 CYP17A1 (0.32)

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-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed