SCHEMBL7512919

SCHEMBL7512919

CCOC(=O)C(Br)(Br)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP8 P22894 2/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL3344606 0.87 ALDH1A1 (0.52) PIN1ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL6297048 0.81 ALDH1A1 (0.46) PIN1ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL1408704 0.77 PIN1 (0.42) PIN1ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL297524 0.77
SCHEMBL24414295 0.75
SCHEMBL18453655 0.75 ALDH1A1 (0.46) PIN1ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL653853 0.75 ALDH1A1 (0.46) PIN1ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL2321956 0.75
SCHEMBL36821 0.75
SCHEMBL11749681 0.74 ALDH1A1 (0.44) PIN1ALDH1A1TRPA1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871896-B1 A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE NYCOMED IMAGING AS (NO) 2002-01-30 EP disclosed
US-6256527-B1 Method for determining oxygen concentration NYCOMED IMAGING AS (NO) 2001-07-03 US disclosed
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 EP disclosed
EP-0871896-A1 A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE NYCOMED IMAGING AS (NO) 1998-10-21 EP disclosed
CN-1193952-A Heterocyclic methyl radicals as imaging enhancers NYCOMED IMAGING AS (NO) 1998-09-23 CN disclosed
US-5765562-A IN A SAMPLE NYCOMED IMAGING AS (NO) 1998-06-16 US disclosed
EP-0832054-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1998-04-01 EP disclosed
WO-1997009633-A1 A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE NYCOMED IMAGING A/S (NO) 1997-03-13 WO disclosed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 WO disclosed