SCHEMBL3680400

SCHEMBL3680400

C=C(C)C(=O)OCC(C)(O)COC(=O)C(=C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TET2 Q6N021 1/20 0.30

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
SCHEMBL812564 0.90 TSHR (0.44) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL17653508 0.90 THRB (0.46) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL18051632 0.88 TSHR (0.42) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL962842 0.86 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1371111 0.86 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL21791737 0.84 THRB (0.39) TSHRTHRBALDH1A1TDP1
SCHEMBL8965833 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL18169552 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19197808 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL51592 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3061795-B1 ACTIVE-ENERGY-RAY-CURABLE COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE INK, COMPOSITION STORED CONTAINER, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING APPARATUS, METHOD FOR FORMING TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE, CURED MATERIAL, DECORATIVE BODY, AND ACTIVE ENERGY RAY POLYMERIZABLE COMPOUND RICOH CO LTD (JP) 2019-04-24 EP disclosed
US-8329065-B2 Carbon nanotube-containing composition, composite, and methods for producing them MITSUBISHI RAYON CO., LTD. (JP) 2012-12-11 US disclosed
US-7794917-B2 Curable composition, color filter and manufacturing method thereof FUJIFILM CORPORATION (JP) 2010-09-14 US disclosed
US-7794917-B2 Curable composition, color filter and manufacturing method thereof FUJIFILM CORPORATION (JP) 2010-09-14 US disclosed
US-20100065788-A1 CARBON NANOTUBE-CONTAINING COMPOSITION, COMPOSITE, AND METHODS FOR PRODUCING THEM MITSUBISHI RAYON CO., LTD. (JP) 2010-03-18 US disclosed
US-20080076043-A1 CURABLE COMPOSITION, COLOR FILTER AND MANUFACTURING METHOD THEREOF FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20080076043-A1 CURABLE COMPOSITION, COLOR FILTER AND MANUFACTURING METHOD THEREOF FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed