SCHEMBL9423650

SCHEMBL9423650

C=CCC(=CCCCC)OC(=CCCCC)CC=C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.31
EP300 Q09472 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
SCHEMBL11250973 0.87 TSHR (0.42) TSHRALDH1A1
SCHEMBL11250977 0.87 TSHR (0.42) TSHRALDH1A1
SCHEMBL11752411 0.80 TSHR (0.38) TSHRALDH1A1EP300
SCHEMBL11752417 0.80 TSHR (0.38) TSHRALDH1A1EP300
SCHEMBL9423521 0.78
SCHEMBL846672 0.77 TSHR (0.48) TSHRALDH1A1EP300
SCHEMBL846671 0.77 TSHR (0.48) TSHRALDH1A1EP300
SCHEMBL847131 0.76 TSHR (0.52) TSHRALDH1A1HPGDEP300
SCHEMBL7076109 0.76 ALDH1A1 (0.35) TSHRALDH1A1EP300
SCHEMBL847130 0.76 TSHR (0.52) TSHRALDH1A1HPGDEP300

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-5324616-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1994-06-28 US claimed
US-5045428-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1991-09-03 US claimed
US-5324616-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1994-06-28 US disclosed
US-5045428-A Encapsulated toner compositions and processes thereof XEROX CORPORATION (US) 1991-09-03 US disclosed