SCHEMBL5522604

SCHEMBL5522604

C=C(C)C(=O)OC(C)c1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LDHA P00338 1/20 0.31
ALB P02768 1/20 0.31
LDHB P07195 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1138136 0.86 LDHA (0.33) ALDH1A1TSHRLDHAALBLDHB
SCHEMBL1276039 0.79 SLC37A4 (0.38) ALDH1A1ELANETSHRTDP1KDM4E
SCHEMBL5175650 0.79 HCAR2 (0.36) ALDH1A1TSHRCYP1A2
SCHEMBL2464292 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5522601 0.78 ALDH1A1 (0.34) ALDH1A1POLBKDM4E
SCHEMBL21112015 0.74 ALDH1A1 (0.41) ALDH1A1ELANETSHRHTTTDP1
SCHEMBL9843288 0.74 CA12 (0.41) ALDH1A1TSHRPOLBTDP1CYP1A2
SCHEMBL28238364 0.73 CYP1A2 (0.42) ALDH1A1TSHRTDP1LDHAALB
SCHEMBL3997110 0.72 ALDH1A1 (0.36) ALDH1A1ELANETSHRTDP1CYP1A2
SCHEMBL3270897 0.72 SLC37A4 (0.32) ALDH1A1POLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064152-A1 INJECTABLE THERMOSENSITIVE PLURONIC HYDROGELS COUPLED WITH BIOACTIVE MATERIALS FOR TISSUE REGENERATION AND PREPARATION MEHTOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-06-07 WO claimed
EP-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP claimed
US-12091537-B2 Composition and molded article containing fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2024-09-17 US disclosed
CN-112513175-B Fluoropolymer-containing composition and molded article 大金工业株式会社 2023-02-21 CN disclosed
US-20210317295-A1 COMPOSITION AND MOLDED ARTICLE CONTAINING FLUORINE-CONTAINING POLYMER DAIKIN INDUSTRIES, LTD. (JP) 2021-10-14 US disclosed
WO-2021160788-A1 METHODS FOR REDUCING OR PREVENTING COLLOIDS ADHESION AND/OR FOULING ON DIFFERENT SUBSTRATES, COMPOSITIONS, AND COPOLYMERS USEFUL THEREFOR SOLVAY SA (BE) 2021-08-19 WO disclosed
EP-3831876-A1 COMPOSITION AND MOLDED ARTICLE CONTAINING FLUORINE-CONTAINING POLYMER DAIKIN INDUSTRIES, LTD. (JP) 2021-06-09 EP disclosed
CN-112513175-A Fluoropolymer-containing composition and molded article 大金工业株式会社 2021-03-16 CN disclosed
WO-2020027046-A1 COMPOSITION AND MOLDED ARTICLE CONTAINING FLUORINE-CONTAINING POLYMER ダイキン工業株式会社 2020-02-06 WO disclosed
WO-2007064152-A1 INJECTABLE THERMOSENSITIVE PLURONIC HYDROGELS COUPLED WITH BIOACTIVE MATERIALS FOR TISSUE REGENERATION AND PREPARATION MEHTOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-06-07 WO disclosed
US-5047442-A Photopolymerizable composition based on a vinyl compound, a sulfur-containing compound and an alpha-diketone MITSUBISHI RAYON COMPANY LIMITED (JP) 1991-09-10 US disclosed
EP-0173290-B1 COMPOSITIONS FOR ARTIFICIAL MARBLES AND PROCESS FOR PRODUCING ARTIFICIAL MARBLES THEREFROM MITSUBISHI RAYON CO., LTD. (JP) 1991-07-10 EP disclosed
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US disclosed
US-4777190-A Photopolymerizable composition based on a vinyl compound, a sulfur-containing compound and an α-diketone MITSUBISHI RAYON COMPANY LIMITED (JP) 1988-10-11 US disclosed
EP-0201903-A2 Photopolymerizable composition MITSUBISHI RAYON CO., LTD. (JP) 1986-11-20 EP disclosed
EP-0173290-A2 Compositions for artificial marbles and process for producing artificial marbles therefrom MITSUBISHI RAYON CO., LTD. (JP) 1986-03-05 EP disclosed