Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7618508

CCCC1CCCC(=N)N1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.34
AR P10275 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL7620434 0.84 NOS3 (0.35) AR
SCHEMBL7618513 0.80 NOS1 (0.37)
Trifluoroacetic Acid SCHEMBL6971868 0.73 NISCH (0.30)
Trifluoroacetic Acid SCHEMBL7621566 0.73
SCHEMBL7626716 0.70
SCHEMBL7628313 0.70 NOS1 (0.40)
SCHEMBL7620769 0.70
Trifluoroacetic Acid SCHEMBL7626950 0.69 SLC1A2 (0.36) SLC1A2HCAR2
SCHEMBL24043625 0.68 SMN1; SMN2 (0.39) SLC1A2
SCHEMBL5963378 0.68 AR (0.35) AR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0724570-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 1999-03-03 EP disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed