Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8773300

O=C(CNC(=O)[C@H]1CCCN1)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.57
HTR2B P41595 3/20 0.57
CTSC P53634 1/20 0.48
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GID4 Q8IVV7 1/20 0.42
TERT O14746 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41

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 SCHEMBL10518928 1.00 HTR2C (0.57) HTR2CHTR2BCTSCHTTMEN1
SCHEMBL8773302 0.94 HTR2C (0.63) HTR2CHTR2BCTSCHTTMEN1
SCHEMBL8134913 0.94 HTR2C (0.63) HTR2CHTR2BCTSCHTTMEN1
SCHEMBL8134909 0.94 HTR2C (0.63) HTR2CHTR2BCTSCHTTMEN1
Trifluoroacetic Acid SCHEMBL28157725 0.83 TSHR (0.55) HTR2CHTR2BCTSCGLATSHR
SCHEMBL31549533 0.83 HTR2C (0.60) HTR2CHTR2BCTSCHTTKDM4E
Trifluoroacetic Acid SCHEMBL28626897 0.81 PRCP (0.48) HTR2CHTR2BKDM4EGID4TERT
Trifluoroacetic Acid SCHEMBL5231460 0.80 HTR2C (0.48) HTR2CHTR2BCTSCKDM4ETERT
Trifluoroacetic Acid SCHEMBL9037494 0.79 GLA (0.53) KMT2AL3MBTL1GLA
SCHEMBL18875522 0.79 HTR2C (0.56) HTR2CHTR2BCTSCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674905-A ADMINISTERING AS GASTRIN OR CHOLECYSTOKININ ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-10-07 US disclosed
EP-0655053-B1 BICYCLOOCTANE AND BICYCLOHEPTANE DERIVATIVES BLACK JAMES FOUNDATION (GB) 1997-09-03 EP disclosed
EP-0655053-A1 BICYCLOOCTANE AND BICYCLOHEPTANE DERIVATIVES. BLACK JAMES FOUNDATION (GB) 1995-05-31 EP disclosed
WO-1994000421-A1 BICYCLOOCTANE AND BICYCLOHEPTANE DERIVATIVES JAMES BLACK FOUNDATION LIMITED (GB) 1994-01-06 WO disclosed