SCHEMBL15775292

SCHEMBL15775292

CC(C)C(F)(F)C(O)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 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
Methacrylic Acid SCHEMBL2528019 0.80 TET2 (0.33)
SCHEMBL5704926 0.79
SCHEMBL1460511 0.79
Water SCHEMBL7201282 0.77
Water SCHEMBL7201277 0.77
SCHEMBL14204560 0.75 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL14569222 0.73 ALDH1A1 (0.41) ALDH1A1CYP2C19
SCHEMBL28716827 0.73 TSHR (0.32)
SCHEMBL77646 0.72
SCHEMBL12552650 0.71 ALDH1A1 (0.33) ALDH1A1CYP2C19

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-2928899-B1 STABLE METAL COMPOUNDS, THEIR COMPOSITIONS AND METHODS OF THEIR USE MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-2928899-A2 STABLE METAL COMPOUNDS, THEIR COMPOSITIONS AND METHODS OF THEIR USE AZ Electronic Materials (Luxembourg) S.à.r.l. (LU) 2015-10-14 EP disclosed
WO-2014086982-A2 STABLE METAL COMPOUNDS, THEIR COMPOSITIONS AND METHODS OF THEIR USE AZ Electronic Materials (Luxembourg) S.à.r.l. (LU) 2014-06-12 WO disclosed