Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6300559

O=C(O)C(F)(F)F.O=C(O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.75
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
PDK2 Q15119 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
DHODH Q02127 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
EPHX2 P34913 2/20 0.52
NR1H4 Q96RI1 1/20 0.49
NR4A2 P43354 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL31752544 0.88 KMO (0.95) KMORXRARXRBHDAC8DHODH
SCHEMBL30436085 0.88 KMO (0.95) KMORXRARXRBHDAC8DHODH
SCHEMBL250880 0.88 KMO (0.95) KMORXRARXRBHDAC8DHODH
SCHEMBL28690696 0.86 KMO (0.91) KMORXRARXRBHDAC8DHODH
Hydrochloric Acid SCHEMBL30713416 0.86 KMO (0.91) KMORXRARXRBHDAC8DHODH
SCHEMBL28702560 0.86 KMO (0.91) KMORXRARXRBHDAC8DHODH
Biphenyl SCHEMBL9652651 0.86 KMO (0.91) KMORXRARXRBHDAC8DHODH
SCHEMBL3220396 0.86 KMO (0.91) KMORXRARXRBHDAC8DHODH
SCHEMBL849169 0.86 KMO (1.00) KMORXRARXRBHDAC8DHODH
SCHEMBL28708895 0.86 KMO (0.91) KMORXRARXRBHDAC8DHODH

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
CN-101360716-A Novel 2-amino-imidazole-4-one compounds and their use in the manufacture of a medicament to be used in the treatment of cognitive impairment, alzheimer s disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-02-04 CN claimed
CN-101360716-A Novel 2-amino-imidazole-4-one compounds and their use in the manufacture of a medicament to be used in the treatment of cognitive impairment, alzheimer s disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-02-04 CN disclosed
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed