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SCHEMBL10482155

SCHEMBL10482155

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NAAA Q02083 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL3362944 0.96 ALDH1A1 (0.53) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL11785001 0.96 ALDH1A1 (0.53) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL7957498 0.92 ALDH1A1 (0.56) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL10482291 0.89 ALDH1A1 (0.47) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL4859260 0.86 ALDH1A1 (0.52) ALDH1A1
Acrylic Acid SCHEMBL17817720 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTDP1POLBAPEX1
Methacrylic Acid SCHEMBL16670527 0.84 ALDH1A1 (0.53) ALDH1A1TSHRTDP1POLBAPEX1
SCHEMBL7957619 0.83 SMN1; SMN2 (0.44) ALDH1A1TSHRTDP1HCAR2SMN1; SMN2
SCHEMBL11323687 0.83 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL7967625 0.83 ALDH1A1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4860050-A Developing replenisher material for use in image forming device RICOH COMPANY, LTD. (JP) 1989-08-22 — — US disclosed