SCHEMBL2494842

SCHEMBL2494842

CCCCC(N)(CCC)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.40
FDPS P14324 4/20 0.37
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMPD1 P17405 4/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL2499593 0.85 SPHK2 (0.40) SPHK2FDPSALDH1A1TSHRTDP1
SCHEMBL27546068 0.83 FDPS (0.40) SPHK2FDPSALDH1A1TSHRTDP1
SCHEMBL2499561 0.79
SCHEMBL2496149 0.78 FDPS (0.35) FDPSSMPD1
SCHEMBL39316 0.74 SMPD1 (0.42) SPHK2FDPSTSHRSMPD1ADRB2
SCHEMBL29029835 0.73 SPHK2 (0.42) SPHK2FDPSALDH1A1TSHRSMPD1
SCHEMBL2497253 0.72 FDPS (0.38) SPHK2FDPSTSHRSMPD1ADRB2
SCHEMBL2497709 0.72
SCHEMBL763414 0.70
SCHEMBL761674 0.69

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-8029689-B2 Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-8029690-B2 Process for production of highly pure 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