SCHEMBL26488804

SCHEMBL26488804

CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)O)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
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
SCHEMBL14773963 0.92 NPSR1 (0.39) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14760465 0.91 NPSR1 (0.38) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14770316 0.90 NPSR1 (0.41) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL24268504 0.88 NPSR1 (0.41) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL24400982 0.86 NPSR1 (0.38) NPSR1MEN1KMT2AL3MBTL1
SCHEMBL14770347 0.84 NPSR1 (0.40) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL26488764 0.84
SCHEMBL14760516 0.84 NPSR1 (0.40) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14770319 0.83 NPSR1 (0.38) NPSR1MEN1KMT2AL3MBTL1
SCHEMBL18785950 0.83 NPSR1 (0.38) NPSR1MEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132653-A1 MOLECULAR RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230132653-A1 MOLECULAR RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed