Isophthalic Acid

Isophthalic Acid

SCHEMBL7789882

CC(C)(C)OOc1c(C(=O)O)cccc1C(=O)O.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
AKR1C3 P42330 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2000365 0.90 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1KDM4E
Isophthalic Acid SCHEMBL7178300 0.83 HSD17B10 (0.55) ALDH1A1HSD17B10TSHRTDP1RXRA
SCHEMBL1606328 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL346597 0.81 MAPK1 (0.50) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL2405160 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1RXRB
SCHEMBL9465406 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL3295858 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRTDP1KDM4E
Benzoic Acid SCHEMBL6556778 0.76 KDM4E (0.49) ALDH1A1HSD17B10TSHRTDP1RXRA
SCHEMBL3154529 0.76 MYC (0.51) ALDH1A1HSD17B10TSHRTDP1KDM4E
Isophthalic Acid SCHEMBL28151042 0.76 CA12 (0.52) ALDH1A1HSD17B10TSHRTDP1RXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898204-B1 Toner and image forming method CANON KK (JP) 2001-11-21 EP disclosed
US-5976752-A BLEND OF A BINDER, COLORANT AND WAX CANON KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0898204-A1 Toner and image forming method CANON KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed