SCHEMBL7944771

SCHEMBL7944771

CCC(C)(C)C(F)(F)C(=O)C(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.32
CES1 P23141 5/20 0.31
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21045050 0.98 FAAH (0.31) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1949821 0.86 FAAH (0.30) FAAH
SCHEMBL7947942 0.78 FAAH (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20047566 0.75 ACLY (0.39) FAAHMEN1CYP1A2KMT2A
SCHEMBL7949805 0.75 FAAH (0.34) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14866045 0.73 CES2 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL70056 0.69 CA2 (0.41) FAAHCES1MEN1KMT2A
SCHEMBL5078106 0.68 THRB (0.33)
SCHEMBL6151164 0.68 CA2 (0.32)
SCHEMBL1801444 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248928-B1 REACTING STRONTIUM WITH A STERICALLY HINDERED ALCOHOL TO PRODUCE STRONTIUM ALKOXIDE; REACTING THE STRONTIUM ALKOXIDE WITH A BETA-DIKETONE TO FORM A STRONTIUM BETA-DIKETONATE ALCOHOL ADDUCT AND REMOVING THE ALCOHOL INORGTECH LIMITED (GB) 2001-06-19 US claimed
US-6248928-B1 REACTING STRONTIUM WITH A STERICALLY HINDERED ALCOHOL TO PRODUCE STRONTIUM ALKOXIDE; REACTING THE STRONTIUM ALKOXIDE WITH A BETA-DIKETONE TO FORM A STRONTIUM BETA-DIKETONATE ALCOHOL ADDUCT AND REMOVING THE ALCOHOL INORGTECH LIMITED (GB) 2001-06-19 US disclosed