Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8556612

NCC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.42
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8556739 0.91 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BPTGDR2
SCHEMBL8556804 0.83 MEN1 (0.76) MEN1KMT2AITGB3ITGA2BTDP1
Trifluoroacetic Acid SCHEMBL7832825 0.82 ITGB3 (0.60) MEN1KMT2AITGB3ITGA2BPTGDR2
Hydrochloric Acid SCHEMBL8832741 0.79 KMT2A (0.55) MEN1KMT2AITGB3ITGA2BGLA
Hydrochloric Acid SCHEMBL8558538 0.78 MEN1 (0.50) MEN1KMT2AITGB3ITGA2BPTGDR2
SCHEMBL8832720 0.77 MEN1 (0.47) MEN1KMT2AITGB3ITGA2BPTGDR2
Trifluoroacetic Acid SCHEMBL8553663 0.77 ITGB3 (0.88) MEN1KMT2AITGB3ITGA2B
SCHEMBL8557680 0.76 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BPTGDR2
SCHEMBL7365310 0.76 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BPTGDR2
SCHEMBL14427051 0.75 KMT2A (0.44) MEN1KMT2AITGB3ITGA2BTDP1

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-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed