SCHEMBL21544058

SCHEMBL21544058

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CA2 P00918 4/20 0.37
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA1 P00915 3/20 0.34
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES1 P23141 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 0.82 ALDH1A1 (0.48) ALDH1A1CA2TSHRCA1ATM
SCHEMBL1434561 0.81 ALDH1A1 (0.38) ALDH1A1CA2TSHRCYP3A4NFKB1
SCHEMBL819567 0.81 ALDH1A1 (0.42) ALDH1A1CA2TSHRCYP3A4CA1
SCHEMBL21543978 0.81 CA1 (0.39) ALDH1A1CA2TSHRCYP3A4NFKB1
SCHEMBL2671974 0.81 CA2 (0.42) ALDH1A1CA2CA1ATM
SCHEMBL5148472 0.80 ALDH1A1 (0.37) ALDH1A1CA2TSHRCYP3A4NFKB1
SCHEMBL542928 0.80 ALDH1A1 (0.37) ALDH1A1CA2TSHRCA1ATM
SCHEMBL2672084 0.80 ALDH1A1 (0.37) ALDH1A1CA2TSHRCYP3A4NFKB1
SCHEMBL17106070 0.80 CA2 (0.41) ALDH1A1CA2TSHRCYP3A4NFKB1
SCHEMBL1361045 0.80 CA2 (0.41) ALDH1A1CA2TSHRCYP3A4NFKB1

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