SCHEMBL3479485

SCHEMBL3479485

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
CES2 O00748 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 3/20 0.35
EPHX1 P07099 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
DGKA P23743 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL426390 0.86 GAA (0.47) MGAMGAASIMGAM2ALDH1A1
Acetone SCHEMBL27840851 0.82 ALDH1A1 (0.52) ALDH1A1CES2TSHREPHX1ATM
SCHEMBL21543979 0.79 MGAM (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8573511 0.78 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28176600 0.76 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8756049 0.76 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
Butyl Alcohol SCHEMBL28056700 0.75 MGAM (0.62) MGAMGAASIMGAM2ALDH1A1
Butyl Alcohol SCHEMBL28457458 0.75 MGAM (0.62) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1162 0.74
SCHEMBL27677215 0.74 MGAM (1.00) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210257570-A1 PHOTOELECTRIC CONVERSION ELEMENT AND METHOD OF PRODUCING PHOTOELECTRIC CONVERSION ELEMENT SHARP KABUSHIKI KAISHA (JP) 2021-08-19 US disclosed
US-7776953-B2 Room temperature-curable organopolysiloxane composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-7754799-B2 Magnesium alloy-bonding organopolysiloxane composition having improved chemical resistance SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-07-13 US disclosed
EP-1816167-B1 Magnesium alloy-bonding organopolysiloxane composition having improved chemical resistance SHINETSU CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-20070282061-A1 Room temperature-curable organopolysiloxane composition SHIN-ETSU CHEMICAL CO., LTD. 2007-12-06 US disclosed
EP-1816167-A1 Magnesium alloy-bonding organopolysiloxane composition having improved chemical resistance Shin-Etsu Chemical Co., Ltd. (JP) 2007-08-08 EP disclosed
US-20070179244-A1 Magnesium alloy-bonding organopolysiloxane composition having improved chemical resistance SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-0671663-B1 Electrophotographic photoreceptor KONISHIROKU PHOTO IND (JP) 1998-08-12 EP disclosed
US-5684113-A MERCAPTOALKYLMETHOXYSILOXANE, VINYLSILOXANE DOW CORNING TORAY SILICONE CO., LTD. (JP) 1997-11-04 US disclosed
EP-0781814-A2 Curable organopolysiloxane composition and method for bonding objects using said composition Dow Corning Toray Silicone Co., Ltd. (JP) 1997-07-02 EP disclosed
EP-0781813-A2 Curable organopolysiloxane composition and method for bonding objects using said composition Dow Corning Toray Silicone Company Ltd. (JP) 1997-07-02 EP disclosed