SCHEMBL6692161

SCHEMBL6692161

FC(F)(F)c1cc(B2OCCO2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
ADRB1 P08588 1/20 0.33
IDO1 P14902 2/20 0.32
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 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
SCHEMBL31336264 0.84 HIF1A (0.38) ADRB1
SCHEMBL6680366 0.79 CES2 (0.39) CES2ADRB1IDO1
SCHEMBL4841407 0.78 ORAI1 (0.38) CES2ORAI1ORAI2ORAI3TRPV6
SCHEMBL12576017 0.75
SCHEMBL10379650 0.72 CES2 (0.39) CES2IDO1
SCHEMBL18541476 0.72
SCHEMBL5077943 0.71 LPL (0.43) CES2
SCHEMBL7784283 0.71 CES2 (0.33) CES2IDO1
SCHEMBL5892475 0.70 HTR1A (0.47)
SCHEMBL14227219 0.69 CES2 (0.32) CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 WO disclosed