Trichloroacetic Acid

Trichloroacetic Acid

SCHEMBL9636962

N=C(NC1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C(O)C(Cl)(Cl)Cl

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPHX2 P34913 1/20 0.40
ADRA2A P08913 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
MMP2 P08253 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
Bicarbonate SCHEMBL9555189 0.89 EPHX1 (0.47) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3295728 0.85 EPHX1 (0.43) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3911158 0.83 EPHX1 (0.39) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9547549 0.70 EPHX1 (0.54) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Trichloroacetic Acid SCHEMBL10609384 0.69 SIGMAR1 (0.56) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10917909 0.68 EPHX1 (0.56) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
Trichloroacetic Acid SCHEMBL9636965 0.66 SIGMAR1 (0.34) ALDH1A1KDM4E
SCHEMBL688961 0.65 EPHX1 (0.57) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4086315 0.64 PHGDH (0.40) ALDH1A1KDM4ECYP3A4GAA
SCHEMBL25867965 0.64 EPHX1 (0.50) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237058-B1 LIGHT SENSITIVE MATERIAL CONTAINING SILVER HALIDE, REDUCING AGENT AND POLYMERIZABLE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1992-06-17 EP disclosed
US-4897335-A Light-sensitive material containing silver halide, reducing agent polymerizable compound, and base arranged outside of microcapsules FUJI PHOTO FILM CO., LTD. (JP) 1990-01-30 US disclosed
US-4842977-A Light-sensitive material containing silver halide, reducing agent, polymerizable compound and a base or base precursor FUJI PHOTO FILM CO., LTD. (JP) 1989-06-27 US disclosed
EP-0237058-A2 Light sensitive material containing silver halide, reducing agent and polymerizable compound FUJI PHOTO FILM CO., LTD. (JP) 1987-09-16 EP disclosed