SCHEMBL8469871

SCHEMBL8469871

C=C(C)C(=O)OC(CCC(OC(=O)C(=C)C)C1CO1)C1CO1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 3/20 0.36
THRB P10828 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
SCHEMBL21196520 0.92 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL26970624 0.92 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL6933723 0.89 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL21196516 0.89 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL7189642 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL26970633 0.88 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL31405775 0.86 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL6929359 0.84 ALDH1A1 (0.44) ALDH1A1
SCHEMBL195062 0.83 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL244542 0.83 ALDH1A1 (0.40) ALDH1A1TSHR

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
US-5948583-A Toner composition and processes thereof XEROX CORPORATION 1999-09-07 US disclosed
US-5916722-A Toner compositions XEROX CORPORATION (US) 1999-06-29 US disclosed
US-5716752-A Method of making toner compositions XEROX CORPORATION (US) 1998-02-10 US disclosed