SCHEMBL3362944

SCHEMBL3362944

C=C(C)C(=O)OCC1CO1.C=C(CC=C(C)C(=O)O)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 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
SCHEMBL11785001 1.00 ALDH1A1 (0.53) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL10482155 0.96 ALDH1A1 (0.49) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL7957498 0.96 ALDH1A1 (0.56) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL7957619 0.87 SMN1; SMN2 (0.44) ALDH1A1TSHRTDP1HCAR2SMN1; SMN2
SCHEMBL11323687 0.87 ALDH1A1 (0.58) ALDH1A1TSHRTHRB
SCHEMBL7967625 0.87 ALDH1A1 (0.61) ALDH1A1TSHRTHRB
SCHEMBL7530690 0.86 ALDH1A1 (0.71) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL13517217 0.86 ALDH1A1 (0.71) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL5475274 0.86 ALDH1A1 (0.71) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL7528392 0.86 ALDH1A1 (0.71) ALDH1A1TSHRTDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670742-B2 Recording material, toner, liquid developer and image forming method using the same RICOH COMPANY, LTD. (JP) 2010-03-02 US disclosed
US-20060222985-A1 Recording material, toner, liquid developer and image forming method using the same RICOH COMPANY, LTD. (JP) 2006-10-05 US disclosed