SCHEMBL12812759

SCHEMBL12812759

CC/C=C(/C)C[C@H](C)CCO

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN1 P18031 1/20 0.32
TSHR P16473 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
SCHEMBL26979889 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15PTPN1TSHR
SCHEMBL26977453 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15PTPN1TSHR
SCHEMBL26977273 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15PTPN1TSHR
SCHEMBL28985935 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15PTPN1TSHR
SCHEMBL28193750 0.79 TSHR (0.30) TSHR
SCHEMBL28193748 0.79 TSHR (0.30) TSHR
SCHEMBL28193747 0.79 TSHR (0.30) TSHR
SCHEMBL26977317 0.79 ALDH1A1 (0.46) ALDH1A1ALOX15PTPN1
SCHEMBL19692014 0.77 TSHR (0.34) TSHR
SCHEMBL19692012 0.77 TSHR (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034213-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING A PATTERN USING THE SAME FUJIFILM CORPORATION (JP) 2011-03-24 WO disclosed