SCHEMBL2496154

SCHEMBL2496154

CCCCC(CCCC)OCN

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
DNM1 Q05193 8/20 0.41
CYP3A4 P08684 1/20 0.36
OPRM1 P35372 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL2497258 0.95 DNM1 (0.43) ALDH1A1TDP1DNM1OPRM1MEN1
SCHEMBL2494660 0.95 ALDH1A1 (0.39) ALDH1A1TDP1DNM1CYP3A4OPRM1
SCHEMBL2499598 0.90 ALDH1A1 (0.44) ALDH1A1TDP1DNM1CYP3A4CA1
SCHEMBL2493464 0.83 DNM1 (0.34) DNM1CA1CA2
SCHEMBL2497711 0.77
SCHEMBL11113258 0.76 DNM1 (0.43) ALDH1A1TDP1DNM1CYP3A4CA1
SCHEMBL3623321 0.75 DNM1 (0.48) ALDH1A1TDP1DNM1CYP3A4OPRM1
SCHEMBL3246465 0.75 DNM1 (0.53) ALDH1A1DNM1CYP3A4MEN1KMT2A
SCHEMBL2496096 0.74
SCHEMBL28797600 0.74 THRB (0.36) ALDH1A1TDP1DNM1CYP3A4OPRM1

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