SCHEMBL9344957

SCHEMBL9344957

COC(=O)NCC1(C)CC(N=C=O)CC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL17410249 1.00 TSHR (0.59) TSHRALDH1A1CYP3A4
SCHEMBL18941446 0.90 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4
SCHEMBL10816128 0.90 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4
SCHEMBL17880835 0.89 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4
SCHEMBL92203 0.88 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4
SCHEMBL9883023 0.88 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4
SCHEMBL16321574 0.87 ALDH1A1 (0.60) TSHRALDH1A1CYP3A4
SCHEMBL19262254 0.87 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4
SCHEMBL12390255 0.87 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4
SCHEMBL21547340 0.86 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995215-B2 Fluoromonomer and fluorooligomer compounds, photopolymerizable composition, and hydrophobic film using the same EWHA University—Industry Collaboration Foundation (KR) 2021-05-04 US disclosed
US-20190016887-A1 FLUOROMONOMER AND FLUOROOLIGOMER COMPOUNDS, PHOTOPOLYMERIZABLE COMPOSITION, AND HYDROPHOBIC FILM USING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATON FOUNDATON (KR) 2019-01-17 US disclosed
EP-2647678-A1 CLEAR COATING COMPOSITION AND METHOD FOR FORMING MULTILAYER COATING FILM THAT USES SAME Nippon Paint Co., Ltd. (JP) 2013-10-09 EP disclosed
US-20080221238-A1 Epoxysilanes, processes for their manufacture and curable compositions containing same MOMENTIVE PERFORMANCE MATERIALS INC. 2008-09-11 US disclosed
US-20080131692-A1 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. 2008-06-05 US disclosed
EP-0323514-B1 PROCESS FOR PREPARING ISOCYANATE COMPOUNDS DAICEL CHEM (JP) 1994-07-13 EP disclosed