SCHEMBL2497253

SCHEMBL2497253

CCCCC(N)(CCCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.38
SMPD1 P17405 4/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SPHK2 Q9NRA0 1/20 0.30
LMNA P02545 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
SCHEMBL2496149 0.95 FDPS (0.35) FDPSSMPD1
SCHEMBL2497810 0.90 FDPS (0.35) FDPSSMPD1
SCHEMBL2421170 0.83 FDPS (0.33) FDPS
SCHEMBL27876728 0.80 SPHK2 (0.42) FDPSSMPD1SPHK2
SCHEMBL16618735 0.79 SMPD1 (0.41) FDPSSMPD1ADRB2ADRB1ADRB3
SCHEMBL6721146 0.76 TSHR (0.32) FDPSLMNATSHR
SCHEMBL5586422 0.75 FDPS (0.39) FDPSSMPD1ADRB2ADRB1ADRB3
SCHEMBL2494289 0.74 FDPS (0.31) FDPS
SCHEMBL14778615 0.72 TSHR (0.33) FDPSLMNATSHR
SCHEMBL1711205 0.72 TSHR (0.33) FDPSLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072496-B1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT OTSUKA CHEMICAL CO LTD (JP) 2017-11-15 EP disclosed
US-8029690-B2 Process for production of highly pure quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-8029689-B2 Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20100044617-A1 Method for producing high-purity quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2010-02-25 US disclosed
US-20090272933-A1 Process for production of highly pure quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2009-11-05 US disclosed
EP-2098518-A1 PROCESS FOR PRODUCTION OF HIGHLY PURE QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-09-09 EP disclosed
EP-2072496-A1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-06-24 EP disclosed