SCHEMBL21753745

SCHEMBL21753745

C=C(C)C(=O)ON(CC)CCO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35

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
SCHEMBL28814756 0.90 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL28994779 0.86 TSHR (0.40) ALDH1A1THRBTSHR
SCHEMBL184943 0.86 ALDH1A1 (0.44) ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL8992744 0.85 TSHR (0.39) ALDH1A1THRBTSHR
Bromide SCHEMBL7193805 0.84 ALDH1A1 (0.42) ALDH1A1THRBTSHR
SCHEMBL4698086 0.83 TSHR (0.46) ALDH1A1THRBTSHR
SCHEMBL2745049 0.80 TSHR (0.51) ALDH1A1THRBTSHR
Methacrylic Acid SCHEMBL28320009 0.80 ALDH1A1 (0.39) ALDH1A1THRBTSHR
SCHEMBL27472271 0.78 TSHR (0.42) ALDH1A1THRBTSHR
SCHEMBL27489862 0.77

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
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
CN-106659639-A Dental prosthesis 三井化学株式会社 2017-05-10 CN disclosed