Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8551348

COC(=O)COc1ccc(NC(=O)c2nnc(C3CCNCC3)s2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA2 P17301 1/20 0.37

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
Hydrochloric Acid SCHEMBL8548741 0.85 POLB (0.41) FFAR1MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL8592836 0.85 POLB (0.44) FFAR1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL8593976 0.82 POLB (0.38) FFAR1KMT2AALDH1A1POLB
Bromide SCHEMBL8551319 0.78 POLB (0.44) MEN1KMT2AALDH1A1HPGDPOLB
Bromide SCHEMBL8553025 0.76 MAPT (0.49) MEN1KMT2AALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL8551971 0.76 CYP2C9 (0.51) MEN1KMT2AALDH1A1POLBL3MBTL1
Bromide SCHEMBL8553387 0.75 POLB (0.50) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL9409455 0.73 HDAC3 (0.50)
SCHEMBL8554053 0.70 MAPT (0.51) MEN1KMT2AALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL8549386 0.70 POLB (0.48) KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed