SCHEMBL21543978

SCHEMBL21543978

CC(=O)C(C)C(=O)[O-].CCCCO[Ti+](OCCCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
ALDH1A1 P00352 1/20 0.38
CA2 P00918 2/20 0.37
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.32
CES1 P23141 1/20 0.31
FAAH O00519 1/20 0.31
CES2 O00748 1/20 0.31
HPGD P15428 1/20 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
Acetic Acid SCHEMBL6871019 0.83 ALDH1A1 (0.48) CA1ALDH1A1CA2TSHRATM
SCHEMBL21544058 0.81 ALDH1A1 (0.37) CA1ALDH1A1CA2TSHRCYP3A4
SCHEMBL8714763 0.81 ALDH1A1 (0.44) CA1ALDH1A1CA2TSHRATM
SCHEMBL17106081 0.79 CA1 (0.39) CA1ALDH1A1CA2TSHRCYP3A4
SCHEMBL17105994 0.79 CA1 (0.39) CA1ALDH1A1CA2TSHRCYP3A4
SCHEMBL8573513 0.79 CA1 (0.43) CA1ALDH1A1CA2TSHRCYP3A4
Methacrylic Acid SCHEMBL6297796 0.77 TSHR (0.43) CA1ALDH1A1CA2TSHRATM
SCHEMBL1230198 0.74 CA1 (0.44) CA1CA2TSHRCYP3A4NFKB1
SCHEMBL2952504 0.74 CA1 (0.44) CA1CA2TSHRCYP3A4NFKB1
SCHEMBL16680965 0.74 CA1 (0.41) CA1ALDH1A1CA2TSHRCYP3A4

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-10886072-B2 Method for producing photoelectric conversion element SHARP KABUSHIKI KAISHA (JP) 2021-01-05 US disclosed
US-20190348226-A1 METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT SHARP KABUSHIKI KAISHA (JP) 2019-11-14 US disclosed