Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7358451

COC(=O)COc1ccc(N2CCNCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAPK1 P28482 2/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
LTA4H P09960 1/20 0.44
FAAH O00519 1/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITGB3 P05106 1/20 0.42

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 SCHEMBL7357427 0.82 MAPT (0.41) MAPTMAPK1TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7361272 0.81 MAPT (0.53) MAPTHTR3EHTR3BADRB1HTR3A
SCHEMBL7366682 0.80 ADRB1 (0.50) MAPTHTR3EHTR3BADRB1HTR3A
SCHEMBL12814351 0.79 ITGB3 (0.62) MAPTHTR3EHTR3BADRB1HTR3A
SCHEMBL12814058 0.79 NPSR1 (0.58) MAPTHTR3EHTR3BADRB1HTR3A
SCHEMBL14922265 0.78 ADRB1 (0.57) MAPTHTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL12814057 0.78 NPSR1 (0.57) MAPTHTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL7362069 0.77 TPSAB1 (0.53) MAPTMAPK1TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7369072 0.77 TPSAB1 (0.53) MAPTMAPK1TPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL7358937 0.77 ATM (0.48) MAPTHTR3EHTR3BADRB1HTR3A

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
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed