3,4,5-Trimethoxybenzoic Acid

3,4,5-Trimethoxybenzoic Acid

SCHEMBL9427206

COc1cc(C(=O)O)cc(OC)c1OC.COc1cc(C(=O)O)cc(OC)c1OC.O[Al]

nearest known ligand 0.92

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 4/20 0.72
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA4 P22748 2/20 0.64
CA6 P23280 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA3 P07451 1/20 0.64
PKM P14618 1/20 0.64
CA5A P35218 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
PTGS2 P35354 1/20 0.60
HTT P42858 1/20 0.53
CNR2 P34972 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53

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
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.96 TPMT (0.78) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.94 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 0.94 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.94 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 0.94 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL10876063 0.86 TPMT (0.66) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL10876055 0.86 TPMT (0.66) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL6559147 0.86 TPMT (0.71) TPMTCA12CA1CA2CA4
SCHEMBL17655663 0.86 TPMT (0.70) TPMTCA12CA1CA2CA4
SCHEMBL15673397 0.85 TSHR (0.65) TPMTCA12CA1CA2CA4

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-5346793-A Toner compositions with aluminum charge enhancing additives XEROX CORPORATION (US) 1994-09-13 US claimed
US-5346793-A Toner compositions with aluminum charge enhancing additives XEROX CORPORATION (US) 1994-09-13 US disclosed