Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6056701

O=C(Nc1ccc(Cl)cc1)N(CCCN1CCC(Cc2ccccc2)CC1)Cc1c(F)cccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.49
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 2/20 0.47
UBE2M P61081 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 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 SCHEMBL6056733 0.92 CCR3 (0.53) CCR3SLC6A2SLC6A4SLC6A3UBE2M
Trifluoroacetic Acid SCHEMBL6056714 0.91 CCR3 (0.52) CCR3SLC6A2SLC6A4SLC6A3UBE2M
Trifluoroacetic Acid SCHEMBL6056777 0.90 OPRM1 (0.52) CCR3SLC6A2SLC6A4MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6056764 0.90 CCR3 (0.54) CCR3SLC6A2SLC6A4SLC6A3UBE2M
Trifluoroacetic Acid SCHEMBL6056820 0.90 TSHR (0.56) CCR3MAPTHSD17B10SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL6056746 0.88 CCR3 (0.49) CCR3MAPTHSD17B10SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL6056692 0.87 CCR3 (0.49) CCR3SLC6A2SLC6A4SLC6A3UBE2M
Trifluoroacetic Acid SCHEMBL6056675 0.87 TSHR (0.49) CCR3MAPTSLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL6056731 0.86 USP2 (0.53) CCR3SLC6A2SLC6A4SLC6A3UBE2M
Trifluoroacetic Acid SCHEMBL6056699 0.86 CCR3 (0.56) CCR3UBE2MDCUN1D1

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-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-6787650-B1 CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-07 US disclosed
EP-1219605-A1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed