SCHEMBL21753744

SCHEMBL21753744

C=C(C)C(=O)ONC(C)CCO

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.32
TGFBR1 P36897 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
SCHEMBL1993143 0.78 TSHR (0.41) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL27761081 0.76 MAPT (0.43) TSHRALDH1A1THRB
SCHEMBL25841962 0.76 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL25842240 0.75 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL25841748 0.75 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL9347706 0.75 ALDH1A1 (0.44) TSHRALDH1A1THRB
SCHEMBL9347854 0.74 ALDH1A1 (0.48) TSHRALDH1A1THRB
SCHEMBL10625186 0.72 ALDH1A1 (0.46) TSHRALDH1A1THRB
SCHEMBL744318 0.71 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL29519156 0.71 TGFBR1 (0.50) TSHRALDH1A1TGFBR1

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
CN-116568502-A Active energy ray-curable composition having dark part curability 东亚合成株式会社 2023-08-08 CN disclosed
CN-112533963-B (meth) acrylate, monomer composition for dental material, molded article, composition for dental material, and method for producing (meth) acrylate 三井化学株式会社 2023-07-25 CN disclosed
CN-112940432-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2022-12-30 CN disclosed
CN-111225933-B (meth) acrylic acid esters and use thereof 三井化学株式会社 2022-10-04 CN disclosed
CN-106132383-B Polymerizable monomer composition for dental material 三井化学株式会社 2021-09-07 CN disclosed
CN-113164327-A (meth) acrylate, monomer composition, molded body, dental material composition, and dental material 三井化学株式会社 2021-07-23 CN disclosed
CN-107427414-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2021-07-02 CN disclosed
CN-112940432-A Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2021-06-11 CN disclosed
CN-112533963-A (meth) acrylate, monomer composition for dental material, molded body, composition for dental material, and method for producing (meth) acrylate 三井化学株式会社 2021-03-19 CN disclosed
CN-111225933-A (meth) acrylic acid esters and use thereof 三井化学株式会社 2020-06-02 CN disclosed
WO-2020040141-A1 (METH)ACRYLATE, MONOMER COMPOSITION FOR DENTAL MATERIAL, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, DENTAL MATERIAL, AND METHOD FOR PRODUCING (METH)ACRYLATE 三井化学株式会社 2020-02-27 WO disclosed