Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9012917

CC(C)(ON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@@H]12)c1nsc(N)n1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.52
▸ PGR P06401 4/20 0.52
▸ PPARG P37231 3/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ TDP1 Q9NUW8 6/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ HTR2C P28335 1/20 0.50
▸ SLC22A6 Q4U2R8 2/20 0.48
▸ SLC22A8 Q8TCC7 2/20 0.48
▸ SLC22A11 Q9NSA0 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALB P02768 1/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ KCNH2 Q12809 2/20 0.44
▸ DAO P14920 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ APAF1 O14727 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL9012912 1.00 NR1I2 (0.52) NR1I2PGRPPARGESR1TDP1
SCHEMBL24263657 0.97 NR1I2 (0.54) NR1I2PGRPPARGESR1TDP1
Trifluoroacetic Acid SCHEMBL9013193 0.92 NR1I2 (0.57) NR1I2PGRPPARGESR1TDP1
Trifluoroacetic Acid SCHEMBL9013142 0.92 NR1I2 (0.57) NR1I2PGRPPARGESR1TDP1
Trifluoroacetic Acid SCHEMBL9013145 0.92 NR1I2 (0.57) NR1I2PGRPPARGESR1TDP1
Trifluoroacetic Acid SCHEMBL9013196 0.92 NR1I2 (0.57) NR1I2PGRPPARGESR1TDP1
SCHEMBL5493394 0.91 NR1I2 (0.49) NR1I2PGRPPARGESR1TDP1
SCHEMBL4205225 0.91 NR1I2 (0.49) NR1I2PGRPPARGESR1TDP1
SCHEMBL16156786 0.90 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL14409663 0.90 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 — — EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 — — US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 — — US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 — — US disclosed
WO-1992021683-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-10 — — WO disclosed
WO-1992018508-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 — — WO disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 — — EP disclosed
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