Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17209692

NCc1cnn(C[C@H]2NC(=O)[C@H]2NC(=O)O)n1.O=C(O)C(F)(F)F

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL17111888 0.93
SCHEMBL17209696 0.85
SCHEMBL17112014 0.83 P2RX7 (0.32)
SCHEMBL17209680 0.81
SCHEMBL17209617 0.78
SCHEMBL21142066 0.78 CTSL (0.42)
SCHEMBL17209636 0.76
SCHEMBL17209637 0.76
SCHEMBL17111934 0.73 HCRTR1 (0.33)
SCHEMBL17133386 0.65 CTSL (0.43)

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-3511328-B1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2021-03-03 EP disclosed
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-09-03 US disclosed
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2019-08-06 US disclosed
US-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-08-01 US disclosed
EP-3511328-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Novartis AG (CH) 2019-07-17 EP disclosed
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9174978-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2015-11-03 US disclosed