SCHEMBL9063433

SCHEMBL9063433

C=C(C)C(=O)OCC(CC)N=C=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL1132033 0.91 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL20719918 0.87 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL1852500 0.87 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL20719915 0.84 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL2479915 0.84 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL20719908 0.83 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL20719919 0.82 TSHR (0.50) TSHRTHRB
SCHEMBL20719912 0.82 TSHR (0.50) TSHRTHRB
SCHEMBL20719917 0.82 TSHR (0.50) TSHRTHRB
SCHEMBL7130277 0.81 TSHR (0.55) TSHRTHRBALDH1A1

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
US-20180179312-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDING PRODUCT MADE THEREFROM CHI MEI CORPORATION (TW) 2018-06-28 US claimed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-109388024-B Photosensitive resin composition and method for producing the same, black matrix, pixel layer, protective film, color filter, and liquid crystal display device 奇美实业股份有限公司 2023-02-28 CN disclosed
US-20190049780-A1 PHOTOSENSITIVE RESIN COMPOSITION AND MANUFACTURING METHOD OF THE SAME, BLACK MATRIX, PIXEL LAYER, PROTECTION FILM, COLOR FILTER, AND LIQUID CRYSTAL DISPLAY APPARATUS CHI MEI CORPORATION (TW) 2019-02-14 US disclosed
CN-106661172-B Composition for forming resin film for hydrofluoric acid etching and resin film for hydrofluoric acid etching 日产化学工业株式会社 2019-01-15 CN disclosed
US-20180179312-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDING PRODUCT MADE THEREFROM CHI MEI CORPORATION (TW) 2018-06-28 US disclosed
US-9861557-B2 Dental materials on the basis of urea group-containing monomers IVOCLAR VIVADENT AG (LI) 2018-01-09 US disclosed
CN-106661172-A Composition for forming resin film for hydrofluoric acid etching and resin film for hydrofluoric acid etching 日产化学工业株式会社 2017-05-10 CN disclosed
US-20160151249-A1 DENTAL MATERIALS ON THE BASIS OF UREA GROUP-CONTAINING MONOMERS IVOCLAR VIVADENT AG (LI) 2016-06-02 US disclosed
US-5547576-A POLYAMINE IMMOBILIZED ON SURFACE OF BASE MATERIAL TERUMO KABUSHIKI KAISHA (JP) 1996-08-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 TSHR 4594/4885THRB 4838/4885ALDH1A1 630/4885
US-20160151249-A1 DENTAL MATERIALS ON THE BASIS OF UREA GROUP-CONTAINING MONOMERS UFM1, SLC14A1, USO1 TSHR 4118/4885THRB 4100/4885ALDH1A1 1603/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.