SCHEMBL6570482

SCHEMBL6570482

C=C(C)C(=O)OCC(C)(O)OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.41
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9241281 0.84 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL962842 0.81 TSHR (0.48) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3680400 0.81 TSHR (0.48) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL1371111 0.81 TSHR (0.48) TSHRALDH1A1THRBPOLBAPEX1
Ethylene Glycol SCHEMBL17701067 0.79 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL9558554 0.79 TSHR (0.47) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL19197808 0.79 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL18169552 0.79 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL8965833 0.79 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL51592 0.79 TSHR (0.50) TSHRALDH1A1THRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752612-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2004-04-21 EP disclosed
US-5859722-A Electrochromic device NIPPOM OIL CO., LTD (JP) 1999-01-12 US disclosed
EP-0752612-A1 Electrochromic device NIPPON OIL CO., LTD. (JP) 1997-01-08 EP disclosed