SCHEMBL7968534

SCHEMBL7968534

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7587854 0.89 ALDH1A1 (0.56) ALDH1A1TSHRHCAR2SMN1; SMN2TDP1
SCHEMBL7966454 0.89 SMN1; SMN2 (0.48) ALDH1A1TSHRHCAR2SMN1; SMN2TDP1
SCHEMBL7968624 0.88 ALDH1A1 (0.64) ALDH1A1TSHRHCAR2THRBTP53
SCHEMBL6939710 0.88 ALDH1A1 (0.76) ALDH1A1TSHRSMN1; SMN2TDP1POLB
SCHEMBL7957580 0.87 TSHR (0.47) ALDH1A1TSHRHCAR2SMN1; SMN2TDP1
Methacrylic Acid SCHEMBL11696629 0.86 ALDH1A1 (0.69) ALDH1A1TSHRHCAR2SMN1; SMN2TDP1
Ethylene SCHEMBL20476752 0.86 ALDH1A1 (0.73) ALDH1A1TSHRSMN1; SMN2TDP1POLB
SCHEMBL7973814 0.86 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2TDP1POLB
SCHEMBL12500482 0.86 ALDH1A1 (0.52) ALDH1A1TSHRHCAR2TDP1POLB
SCHEMBL94007 0.85 ALDH1A1 (0.54) ALDH1A1TSHRHCAR2SMN1; SMN2TDP1

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-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US claimed
US-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US disclosed