Trichloroacetic Acid

Trichloroacetic Acid

SCHEMBL6916725

O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Cd+2]

nearest known ligand 0.60

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
CA4 P22748 4/20 0.38
CA1 P00915 2/20 0.33
FAHD1 Q6P587 1/20 0.33

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
Trichloroacetic Acid SCHEMBL29894452 1.00 TSHR (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL108356 0.92
Trichloroacetic Acid SCHEMBL465138 0.92 ALDH1A1 (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL19810503 0.92 ALDH1A1 (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL7211445 0.92 ALDH1A1 (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL7787579 0.92
Trichloroacetic Acid SCHEMBL11108028 0.92 ALDH1A1 (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL18685945 0.92 ALDH1A1 (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL1178275 0.92 ALDH1A1 (0.47) TSHRALDH1A1TP53CA4CA1
Trichloroacetic Acid SCHEMBL60578 0.92

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed
US-4313850-A METAL BIS(HALOCARBOXYLATE), OXYGENATED ORGANOTITANIUM, VANDIUM OR ZIRCONIUM COMPOUND AND AN ORGANOALUMIUM COMPOUND STANDARD OIL COMPANY (INDIANA) (US) 1982-02-02 US disclosed