Trifluoroethanol

Trifluoroethanol

SCHEMBL4421337

O=C(N=C=S)c1cnccc1C(F)(F)F.OCC(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RBP4 P02753 1/20 0.37
DHODH Q02127 1/20 0.34
GAA P10253 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
NAMPT P43490 1/20 0.32
IDH2 P48735 1/20 0.31
FAAH O00519 1/20 0.31
PDK1 Q15118 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
CD38 P28907 1/20 0.30
ADRB2 P07550 1/20 0.30
S1PR1 P21453 1/20 0.30
GPR183 P32249 1/20 0.30
APLNR P35414 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
SCHEMBL3915938 0.93 NPC1 (0.46) NPC1POLBMAPTALDH1A1RBP4
SCHEMBL4419886 0.80 NPC1 (0.47) NPC1POLBMAPTALDH1A1RBP4
Acetonitrile SCHEMBL28767810 0.75 NPC1 (0.42) NPC1POLBMAPTALDH1A1RBP4
SCHEMBL27336380 0.72 NPC1 (0.45) NPC1POLBMAPTALDH1A1RBP4
SCHEMBL2015042 0.72 LMNA (0.50) GAACTNNB1WNT3A
SCHEMBL13760452 0.72 NPC1 (0.47) NPC1POLBMAPTALDH1A1RBP4
SCHEMBL27743576 0.71 NPC1 (0.55) NPC1POLBMAPTALDH1A1RBP4
SCHEMBL7102448 0.71 ROCK2 (0.47) NPC1POLBMAPTALDH1A1GAA
SCHEMBL7099800 0.71 KDM4C (0.36) MAPTALDH1A1GAASLC22A12
SCHEMBL15514535 0.70 NPC1 (0.54) NPC1POLBMAPTALDH1A1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507761-B1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES MERIAL INC (US) 2016-02-24 EP disclosed
US-7476685-B2 Pyridine carboxamide derivatives and their use as pesticides MERIAL LIMITED (US) 2009-01-13 US disclosed
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-07-27 US disclosed
EP-1507761-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2005-02-23 EP disclosed
WO-2003097604-A9 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2004-05-06 WO disclosed
WO-2003097604-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides DDT, ACHE, CYCS NPC1 4667/4885POLB 4540/4885MAPT 2815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.