Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7325538

CN1C(=O)C(c2ccccc2)N(C(CC(=O)O)c2ccccc2)C(=O)c2cc(CCCCOc3cccnc3N)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.33
BACE1 P56817 1/20 0.31
TP53 P04637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 SCHEMBL7321515 0.92 MDM2 (0.32) MDM2TP53
Trifluoroacetic Acid SCHEMBL8843044 0.92 MDM2 (0.33) MDM2BACE1TP53TAAR1CYP3A4
SCHEMBL7325547 0.91 MDM2 (0.32) MDM2
Trifluoroacetic Acid SCHEMBL7325990 0.91
Trifluoroacetic Acid SCHEMBL7363787 0.91 MDM2 (0.37) MDM2TP53
Trifluoroacetic Acid SCHEMBL7323768 0.86 MDM2 (0.37) MDM2BACE1TP53
SCHEMBL8959416 0.85 MDM2 (0.32) MDM2TAAR1
Trifluoroacetic Acid SCHEMBL7321436 0.84 MDM2 (0.32) MDM2TAAR1
Trifluoroacetic Acid SCHEMBL7332678 0.84 MEN1 (0.38) BACE1TP53CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7328919 0.84 MDM2 (0.33) MDM2BACE1

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
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed