SCHEMBL9348121

SCHEMBL9348121

CCOC(C(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
TSHR P16473 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
SCHEMBL15780176 0.78 THRB (0.32) THRB
SCHEMBL14670245 0.77
SCHEMBL9323503 0.76 FAAH (0.32) LMNATHRBPOLBNPSR1ALDH1A1
SCHEMBL9017248 0.75
Ammonia Solution, Strong SCHEMBL29544342 0.74 FAAH (0.31) LMNATHRBPOLBNPSR1
SCHEMBL14670265 0.74 TSHR (0.36) LMNAPOLBTSHR
SCHEMBL5947964 0.74 ALDH1A1 (0.36) LMNATHRBALDH1A1TSHR
SCHEMBL28476006 0.73 ALDH1A1 (0.36) LMNAALDH1A1TSHR
SCHEMBL9343508 0.73 ALDH1A1 (0.35) NPSR1ALDH1A1
SCHEMBL13597406 0.73 THRB (0.38) LMNATHRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362477-A 19F magnetic resonance imaging agents which include a nitroxide moiety MALLINCKRODT MEDICAL, INC. (US) 1994-11-08 US disclosed