SCHEMBL21544059

SCHEMBL21544059

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
FAAH O00519 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL10791440 0.88 ALDH1A1 (0.38) ALDH1A1CA2MAPK1TSHRHPGD
Acetic Acid SCHEMBL6871026 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL21543980 0.82 ALDH1A1 (0.39) ALDH1A1CA2MAPK1TSHRHPGD
SCHEMBL1077670 0.80 ALDH1A1 (0.41) ALDH1A1CA2MAPK1TSHRHPGD
SCHEMBL11097100 0.80 ALDH1A1 (0.41) ALDH1A1CA2MAPK1TSHRHPGD
SCHEMBL2671988 0.79 ALDH1A1 (0.39) ALDH1A1CA2MAPK1TSHRHPGD
SCHEMBL6281801 0.76 ALDH1A1 (0.37) ALDH1A1CA2MAPK1TSHRHCAR2
SCHEMBL157028 0.76
Methacrylic Acid SCHEMBL6297800 0.76 TSHR (0.44) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL21225948 0.73 TDP1 (0.38) ALDH1A1CA2MAPK1TDP1

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