SCHEMBL7970437

SCHEMBL7970437

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
MGLL Q99685 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
SCHEMBL7973814 0.89 ALDH1A1 (0.58) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7966784 0.89 SMN1; SMN2 (0.47) TSHRHPGDALDH1A1SMN1; SMN2TDP1
SCHEMBL11421354 0.86 ALDH1A1 (0.60) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7957580 0.85 TSHR (0.47) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
Ethylene SCHEMBL20476766 0.85 ALDH1A1 (0.58) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7967479 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4MGLL
SCHEMBL7970236 0.85 TSHR (0.44) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL10798375 0.85 ALDH1A1 (0.53) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL9336641 0.85 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL222966 0.83 TSHR (0.67) TSHRHPGDALDH1A1SMN1; SMN2CYP3A4

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