SCHEMBL9813172

SCHEMBL9813172

C=C(C)C(=O)OCC(O)(C1=CCCC1)C1=CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
GSTP1 P09211 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2457507 0.78 ALDH1A1 (0.41) TSHRALDH1A1THRBGSTP1
SCHEMBL9643703 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9726055 0.73
SCHEMBL4872187 0.72 KMT2A (0.30)
SCHEMBL4872196 0.72 TSHR (0.46) TSHRALDH1A1THRBGSTP1POLB
SCHEMBL28558732 0.70 ALDH1A1 (0.32) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL11213826 0.70
SCHEMBL128997 0.70 TSHR (0.44) TSHRALDH1A1THRBGSTP1POLB
SCHEMBL5491232 0.69 GSTP1 (0.61) TSHRALDH1A1THRBGSTP1POLB
SCHEMBL15475367 0.69 THRB (0.44) TSHRALDH1A1THRBGSTP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112534007-A Radiation curable inkjet inks 爱克发有限公司 2021-03-19 CN claimed
CN-112534006-A Production of decorated leather 爱克发有限公司 2021-03-19 CN claimed
EP-0157596-B1 COATING, SEALING OR IMPREGNANT COMPOSITIONS ROHM AND HAAS COMPANY (US) 1991-07-24 EP claimed
US-4556701-A CYCLOPENTENYL ACRYLIC POLYMERS CONTAINING DRYING OIL FATTY ACIDS ROHM AND HAAS COMPANY (US) 1985-12-03 US claimed
EP-0142172-A2 Composition usable as adhesive DENTSPLY INTERNATIONAL, INC. (US) 1985-05-22 EP claimed
EP-3553100-B1 RESIN COMPOSITION FOR VARTM MOLDING, MOLDING MATERIAL, MOLDED ARTICLE AND METHOD FOR PRODUCING MOLDED ARTICLE DAINIPPON INK & CHEMICALS (JP) 2023-11-15 EP disclosed
CN-112534005-B Production of decorated leather 爱克发有限公司 2022-11-11 CN disclosed
CN-112534004-A Production of decorated leather 爱克发有限公司 2021-03-19 CN disclosed
CN-112534006-A Production of decorated leather 爱克发有限公司 2021-03-19 CN disclosed
CN-112534005-A Production of decorated leather 爱克发有限公司 2021-03-19 CN disclosed
CN-112534007-A Radiation curable inkjet inks 爱克发有限公司 2021-03-19 CN disclosed
EP-3553100-A1 RESIN COMPOSITION FOR VaRTM MOLDING, MOLDING MATERIAL, MOLDED ARTICLE AND METHOD FOR PRODUCING MOLDED ARTICLE DIC Corporation (JP) 2019-10-16 EP disclosed
CN-105820622-A High-temperature-resistant anti-corrosion and anti-radiation coating and preparation method thereof 黄河科技学院 2016-08-03 CN disclosed