SCHEMBL7673181

SCHEMBL7673181

CCCCNC=O.COC(C)OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.68
ADH1A P07327 5/20 0.68
ADH7 P40394 4/20 0.68
ADH1C P00326 4/20 0.68
EPHX1 P07099 5/20 0.59
ADH4 P08319 2/20 0.59
TSHR P16473 4/20 0.36
ALDH1A1 P00352 1/20 0.36
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL26602 0.82
SCHEMBL27768502 0.80
SCHEMBL27768518 0.80
SCHEMBL5254384 0.78 ADH1B (0.90) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL9391 0.78
SCHEMBL1963312 0.76 ADH1B (0.85) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL987947 0.76 EPHX1 (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL302735 0.75 EPHX1 (1.00) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL4879688 0.75 EPHX1 (1.00) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL145544 0.75 EPHX1 (1.00) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214331-A2 2-AZAPURINE COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2002-06-19 EP disclosed
WO-2001016149-A2 2-AZAPURINE COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2001-03-08 WO disclosed
EP-0778898-A1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES CHIRON CORPORATION (US) 1997-06-18 EP disclosed
WO-1996006950-A9 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES 1997-05-09 WO disclosed
WO-1996006950-A1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES CHIRON CORPORATION (US) 1996-03-07 WO disclosed