SCHEMBL5898280

SCHEMBL5898280

C=CCOC(C)C(C(=O)O)=C(C(=O)O)C(C)OCC=C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5898471 1.00 TDP1 (0.36) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL5898268 1.00 TDP1 (0.36) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL170785 0.83
SCHEMBL7241219 0.83
SCHEMBL7230308 0.83
SCHEMBL22418814 0.82 TDP1 (0.35) TDP1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL8686474 0.81 TDP1 (0.37) TDP1TSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8686471 0.81 TDP1 (0.37) TDP1TSHRMEN1KMT2AALDH1A1
Acetic Acid SCHEMBL1325283 0.79 TDP1 (0.36) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL19342593 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049350-B2 Polymerizable compound, polymerizable composition and cured product containing the compound SHOWA DENKO K.K. (JP) 2006-05-23 US disclosed
US-20040235980-A1 Polymerizable compound, polymerizable composition and cured product containing the compound SHOWA DENKO K.K. (JP) 2004-11-25 US disclosed