SCHEMBL3914403

SCHEMBL3914403

C=C(C)C(=O)OC(C)COC(=O)C=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
HCAR2 Q8TDS4 10/20 0.44
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 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
SCHEMBL195021 1.00 TSHR (0.47) TSHRHCAR2ALDH1A1KDM4EMAPT
SCHEMBL11796011 1.00 TSHR (0.47) TSHRHCAR2ALDH1A1KDM4EMAPT
SCHEMBL3914399 0.94 TSHR (0.53) TSHRHCAR2ALDH1A1THRBHPGD
SCHEMBL7164556 0.86 HCAR2 (0.46) TSHRHCAR2ALDH1A1KDM4EMAPT
SCHEMBL30268 0.83 HCAR2 (0.59) TSHRHCAR2ALDH1A1HPGD
SCHEMBL30100815 0.83 HCAR2 (0.59) TSHRHCAR2ALDH1A1HPGD
SCHEMBL1888381 0.83 TSHR (0.46) TSHRHCAR2THRB
SCHEMBL1255428 0.82 TSHR (0.61) TSHRALDH1A1THRBHPGD
SCHEMBL5078552 0.82 TSHR (0.45) TSHRHCAR2ALDH1A1KDM4EMAPT
SCHEMBL5145703 0.82 HCAR2 (0.46) TSHRHCAR2ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883212-A CATIONIC POLYMER WITH QUATERNARY AMMONIUM UNSATURATED MONOMER AND HYDROXYALKYL (METH)ACRYLATE AND/OR CYANOALKYL (METH)ACRYLATE COMONOMERS REXAM GRAPHICS, INC. (US) 1999-03-16 US claimed
WO-2023032605-A1 COMPOSITION AND METHOD FOR PRODUCING COMPOSITION 株式会社カネカ 2023-03-09 WO disclosed
WO-2022186248-A1 RESIN COMPOSITION, METHOD FOR PRODUCING POLYMER FINE PARTICLES, AND METHOD FOR PRODUCING RESIN COMPOSITION 株式会社カネカ 2022-09-09 WO disclosed
US-7566377-B2 Liquid crystal sealing agent composition and manufacturing method of liquid crystal display panel using the same MITSUI CHEMICALS, INC. (JP) 2009-07-28 US disclosed
US-20060009579-A1 Sealing composition for liquid crystal displays and process for production of liquid crystal display panels MITSUI CHEMICALS AND AND SHARP KABUSHIKI KAISHA (JP) 2006-01-12 US disclosed
EP-0948412-A4 ELECTROGRAPHIC IMAGING ELEMENT REXAM GRAPHICS INC (US) 2000-09-20 EP disclosed
US-6048604-A ETHYLENICALLY UNSATURATED AMMONIUM PRECURSORS, REXAM GRAPHICS, INC. (US) 2000-04-11 US disclosed
WO-1999062445-A1 DIRECT WRITE ELECTROGRAPHIC WALLCOVERING REXAM GRAPHICS, INC. (US) 1999-12-09 WO disclosed
EP-0948412-A1 ELECTROGRAPHIC IMAGING ELEMENT Rexam Graphics Inc. (US) 1999-10-13 EP disclosed
US-5883212-A CATIONIC POLYMER WITH QUATERNARY AMMONIUM UNSATURATED MONOMER AND HYDROXYALKYL (METH)ACRYLATE AND/OR CYANOALKYL (METH)ACRYLATE COMONOMERS REXAM GRAPHICS, INC. (US) 1999-03-16 US disclosed
WO-1998026879-A1 ELECTROGRAPHIC IMAGING ELEMENT REXAM GRAPHICS, INC. (US) 1998-06-25 WO disclosed
US-5759636-A LARGE SCALE, PHOTOPOLYMERIZATION, CATIONIC POLYMERS REXAM GRAPHICS, INC. (US) 1998-06-02 US disclosed