SCHEMBL7970236

SCHEMBL7970236

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL7957498 0.89 ALDH1A1 (0.56) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7968697 0.89 ALDH1A1 (0.45) TSHRHPGDALDH1A1CYP3A4MGLL
SCHEMBL7957619 0.89 SMN1; SMN2 (0.44) TSHRHPGDALDH1A1SMN1; SMN2TDP1
SCHEMBL7966442 0.86 ALDH1A1 (0.44) TSHRHPGDALDH1A1SMN1; SMN2TDP1
Acrylic Acid Ethyl Ester SCHEMBL16333556 0.85 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7971090 0.85 TSHR (0.44) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11785001 0.85 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2TDP1HCAR2
SCHEMBL3362944 0.85 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2TDP1HCAR2
SCHEMBL7970437 0.85 TSHR (0.46) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL10477468 0.84 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TDP1

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