SCHEMBL1766032

SCHEMBL1766032

C=C(C)C(=O)OCC1COC(CC)(CC(C)C)O1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 4/20 0.40
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL4893327 0.84 TSHR (0.39) ALDH1A1TSHR
SCHEMBL923989 0.82 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL924281 0.77 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL9923827 0.76 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL378537 0.75 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL14470792 0.75 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL6113579 0.74
SCHEMBL9079375 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL14065602 0.74 ALDH1A1 (0.63) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
Isobutane SCHEMBL11145297 0.73 ALDH1A1 (0.89) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110120753-A1 CURABLE RESIN COMPOSITION FOR INK JET PRINTER, CURED PRODUCT THEREOF, AND PRINTED WIRING BOARD USING THE SAME USHIKI SHIGERU 2011-05-26 US disclosed
EP-1857478-B1 CURABLE RESIN COMPOSITION FOR INK-JET PRINTING, CURED OBJECT OBTAINED THEREFROM, AND PRINTED WIRING BOARD OBTAINED WITH THE SAME TAIYO INK MFG CO LTD (JP) 2009-09-02 EP disclosed
US-20070270568-A1 CURABLE RESIN COMPOSITION FOR INK JET PRINTER, CURED PRODUCT THEREOF, AND PRINTED WIRING BOARD USING THE SAME TAIYO INK MFG. CO., LTD. (JP) 2007-11-22 US disclosed
EP-1857478-A1 CURABLE RESIN COMPOSITION FOR INK-JET PRINTING, CURED OBJECT OBTAINED THEREFROM, AND PRINTED WIRING BOARD OBTAINED WITH THE SAME TAIYO INK MFG. CO., LTD. (JP) 2007-11-21 EP disclosed