Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9037494

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 2/20 0.41
HTR5A P47898 1/20 0.41
KDM1A O60341 1/20 0.41
KMT2A Q03164 1/20 0.41
GHSR Q92847 1/20 0.40

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
SCHEMBL9038558 0.92 GLA (0.60) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL9060376 0.89 GLA (0.59) GLAPOLBALDH1A1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL28157725 0.80 TSHR (0.55) GLAKDM1A
SCHEMBL11063204 0.80 GLA (0.48) GLAPOLBALDH1A1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL10724195 0.79 KCNN4 (0.39) POLBHTR5A
Trifluoroacetic Acid SCHEMBL8773300 0.79 HTR2C (0.57) GLAL3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL10518928 0.79 HTR2C (0.57) GLAL3MBTL1KMT2A
SCHEMBL28869016 0.76 GLA (0.53) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL3393626 0.76 GLA (0.62) GLAALDH1A1MAPK1L3MBTL1LTA4H
Trifluoroacetic Acid SCHEMBL29447618 0.76 TSHR (0.52) GLAALDH1A1MAPK1L3MBTL1KDM1A

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
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 WO disclosed