Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6421112

CC(=O)n1c2c(c3ccccc31)CCNC2.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.52
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
CREBBP Q92793 1/20 0.43
POLB P06746 1/20 0.43
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 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
SCHEMBL6421224 0.91 HTR6 (0.56) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL6422813 0.88 HTR6 (0.49) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL6422250 0.87 HTR6 (0.46) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL6421287 0.87 HTR6 (0.46) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL6421276 0.87 P2RX4 (0.47) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL968555 0.85 HTR2A (0.60) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL6424059 0.83 HDAC6 (0.52) HTR6HTR2AHTR2CHDAC6HDAC1
SCHEMBL5373439 0.82 HTR6 (0.58) HTR6HTR2AHTR2CHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL6423027 0.79 HDAC6 (0.67) HTR6HDAC6HDAC1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL6422091 0.79 HDAC6 (0.48) HTR6HTR2AHTR2CHDAC6HDAC1

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed