SCHEMBL29017482

SCHEMBL29017482

CCCCOCC(=O)C(OCCCC)(C(C)=O)C(=O)[O-].CCCCOCC(=O)C(OCCCC)(C(C)=O)C(=O)[O-].CCCCOCC(=O)C(OCCCC)(C(C)=O)C(=O)[O-].CCCCOCC(=O)C(OCCCC)(C(C)=O)C(=O)[O-].[Ti+4]

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.32
PLA2G2C Q5R387 2/20 0.31

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
SCHEMBL27658429 0.89 CES2 (0.51) CES2ALDH1A1TSHR
SCHEMBL7642803 0.80 CES2 (0.49) CES2ALDH1A1TSHR
SCHEMBL7112242 0.75 CES2 (0.47) CES2ALDH1A1TSHR
SCHEMBL28053022 0.74 ALDH1A1 (0.48) CES2ALDH1A1TSHR
SCHEMBL28052829 0.74 ALDH1A1 (0.48) CES2ALDH1A1TSHR
SCHEMBL7108185 0.74 CES2 (0.46) CES2ALDH1A1TSHR
SCHEMBL31590864 0.74 CES2 (0.41) CES2
SCHEMBL106032 0.71 CES2 (0.50) CES2ALDH1A1TSHR
SCHEMBL105781 0.71 CES2 (0.50) CES2ALDH1A1TSHR
SCHEMBL6324617 0.71 CES2 (0.50) CES2ALDH1A1TSHR

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
CN-110515266-B Pattern forming method 信越化学工业株式会社 2023-06-23 CN disclosed
CN-110515272-B Pattern forming method 信越化学工业株式会社 2023-06-23 CN disclosed