SCHEMBL4931018

SCHEMBL4931018

C=CCNCCC[N+](C)(C)CC(C)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
BBOX1 O75936 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL15676658 0.85 PSMD14 (0.33) KMT2AATM
SCHEMBL7632635 0.79
SCHEMBL19630714 0.78 DNM1 (0.40) KMT2AATMBBOX1CNR1CNR2
SCHEMBL4782686 0.77 DNM1 (0.43) KMT2AATMCNR1CNR2
SCHEMBL714615 0.75 MEN1 (0.38) KMT2ACNR1CNR2
SCHEMBL9818482 0.75 KMT2A (0.39) KMT2AATMBBOX1
SCHEMBL6549189 0.74 HTT (0.54) KMT2ACNR1CNR2
Hydrochloric Acid SCHEMBL28916544 0.74 APEX1 (0.40) KMT2ACNR1CNR2
SCHEMBL16356899 0.73 ZDHHC20 (0.49) KMT2AATMBBOX1
SCHEMBL16673890 0.72 HTT (0.39) KMT2A

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
US-20170283373-A1 Acid Mist Mitigation Agents for Electrolyte Solutions BASF SE (DE) 2017-10-05 US disclosed
US-9714218-B2 Acid mist mitigation agents for electrolyte solutions BASF SE (DE) 2017-07-25 US disclosed
US-20150291516-A1 Acid Mist Mitigation Agents for Electrolyte Solutions BASF SE (DE) 2015-10-15 US disclosed
US-8440857-B2 Sulfonate- or sulfate-capped anti-misting agents BASF CORPORATION (US) 2013-05-14 US disclosed
US-8343326-B2 Acid mist mitigation agents for electrolyte solutions BASF CORPORATION (US) 2013-01-01 US disclosed
US-20120125777-A1 SULFONATE- OR SULFATE-CAPPED ANTI-MISTING AGENTS COGNIS IP MANAGEMENT GMBH (DE) 2012-05-24 US disclosed
US-20080314752-A1 ACID MIST MITIGATION AGENTS FOR ELECTROLYTE SOLUTIONS COGNIS IP MANAGEMENT GMBH (DE) 2008-12-25 US disclosed