SCHEMBL784654

SCHEMBL784654

C=C(C)C(=O)NCOC(=O)C(C)C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.30
THRB P10828 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
SCHEMBL339706 0.80 TSHR (0.38) TGFBR1TSHRRXFP1THRB
SCHEMBL18007139 0.78 TGFBR1 (0.35) TGFBR1TSHR
SCHEMBL18007138 0.77 TGFBR1 (0.38) TGFBR1TSHR
SCHEMBL784536 0.76 TSHR (0.41) TSHR
SCHEMBL468827 0.75 ALDH1A1 (0.39) TGFBR1TSHRTHRB
SCHEMBL16803338 0.75 ALDH1A1 (0.42) TGFBR1TSHRTHRB
SCHEMBL15745541 0.74 TGFBR1 (0.41) TGFBR1TSHRRXFP1
SCHEMBL18808392 0.74 TGFBR1 (0.33) TGFBR1TSHRTHRB
SCHEMBL17250046 0.74 THRB (0.48) TGFBR1TSHRTHRB
SCHEMBL855074 0.72 TGFBR1 (0.37) TGFBR1TSHRRXFP1THRB

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-8708474-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-8668322-B2 2014-03-11 US disclosed
US-20120069083-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed