SCHEMBL6027439

SCHEMBL6027439

NOCC(=O)NNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.32
CA2 P00918 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6027505 0.98 CA2 (0.33) GBA1CA2
SCHEMBL6036333 0.79 THRB (0.32) GBA1CA2
SCHEMBL6027725 0.79 GBA1 (0.35) GBA1CA2
SCHEMBL935196 0.78 GBA1 (0.37) GBA1CA2ALDH1A1
SCHEMBL933568 0.76 GBA1 (0.38) GBA1CA2ALDH1A1
SCHEMBL935439 0.76 GBA1 (0.38) GBA1CA2ALDH1A1
SCHEMBL8102884 0.69 TSHR (0.46) GBA1ALDH1A1
SCHEMBL22118494 0.69 ALDH1A1 (0.36) GBA1ALDH1A1
SCHEMBL8096547 0.68 TSHR (0.44) GBA1ALDH1A1
SCHEMBL1233246 0.68 TSHR (0.44) GBA1ALDH1A1

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
US-20060263886-A1 Fluorous labeling for selective processing of biologically-derived samples PETERS ERIC 2006-11-23 US disclosed
EP-1687643-A1 FLUOROUS LABELING FOR SELECTIVE PROCESSING OF BIOLOGICALLY-DERIVED SAMPLES IRM, LLC (BM) 2006-08-09 EP disclosed
WO-2005050226-A1 FLUOROUS LABELING FOR SELECTIVE PROCESSING OF BIOLOGICALLY-DERIVED SAMPLES IRM LLC (BM) 2005-06-02 WO disclosed