SCHEMBL7199075

SCHEMBL7199075

C1COO1.CCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL36601 0.95 TSHR (0.38) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL3161401 0.93 TSHR (0.37) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL13721129 0.93 TSHR (0.37) TSHRPOLBHSD17B10MEN1KMT2A
Methoxymethane SCHEMBL28253297 0.92 TSHR (0.36) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL686052 0.90 TSHR (0.36) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL18876322 0.89 TSHR (0.38) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL27615158 0.89 AGXT (0.39) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL213722 0.87 IDO1 (0.43) TSHR
SCHEMBL13320413 0.87 TSHR (0.34) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL21477304 0.87 TSHR (0.37) TSHRPOLBHSD17B10MEN1KMT2A

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
US-6630565-B1 Phosphorus-comprising polyol, oligomer derived from this phosphorus-comprising polyol, polymer derived from this oligomer, processes for their preparation and uses of these. for fireproofing UCB, S.A. (BE) 2003-10-07 US disclosed