SCHEMBL584899

SCHEMBL584899

NCCCCCCC(N)CCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
GSR P00390 1/20 0.42
NFKB1 P19838 1/20 0.41
CPB2 Q96IY4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3164648 1.00 DNM1 (0.47) DNM1CA12CA1CA2CA3
SCHEMBL10884825 1.00 DNM1 (0.47) DNM1CA12CA1CA2CA3
SCHEMBL6339082 0.97 DNM1 (0.44) DNM1CA12CA1CA2CA3
SCHEMBL708436 0.97 GSR (0.44) DNM1CA12CA1CA2CA3
SCHEMBL16696692 0.94 DNM1 (0.53) DNM1CA12CA1CA2CA3
SCHEMBL350445 0.94 DNM1 (0.53) DNM1CA12CA1CA2CA3
SCHEMBL352357 0.94 DNM1 (0.53) DNM1CA12CA1CA2CA3
SCHEMBL20597340 0.94 DNM1 (0.53) DNM1CA12CA1CA2CA3
SCHEMBL351453 0.94 DNM1 (0.53) DNM1CA12CA1CA2CA3
SCHEMBL349469 0.94 DNM1 (0.53) DNM1CA12CA1CA2CA3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949285-B1 Process for manufacturing polyurethane foam BASF AG (DE) 2002-06-12 EP claimed
EP-0949285-A1 Process for manufacturing polyurethane foam BASF AKTIENGESELLSCHAFT (DE) 1999-10-13 EP claimed
US-8859472-B2 Use of ester group-including polymers as antifatigue additives EVONIK ROHMAX ADDITIVES GMBH (DE) 2014-10-14 US disclosed
EP-1919961-B1 OIL SOLUBLE POLYMERS EVONIK OIL ADDITIVES GMBH (DE) 2014-06-04 EP disclosed
EP-2523902-A1 PROCESS FOR THE PREPARATION OF CARBON NANOTUBES HAVING HYDROXYALKYL ESTER GROUPS, AND MATERIALS AND DISPERSIONS CONTAINING THESE CARBON NANOTUBES Bayer Intellectual Property GmbH (DE) 2012-11-21 EP disclosed
EP-2417176-A1 CARBON NANOTUBES COMPRISING HYDROXY GROUPS, METHOD FOR THE PRODUCTION THEREOF AND POLYURETHANE POLYMERS COMPRISING SAID CARBON NANOTUBES Bayer MaterialScience AG (DE) 2012-02-15 EP disclosed
EP-1440106-B1 PROCESS FOR THE ALKOXYLATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF NOVEL FRAMEWORK MATERIALS BASF SE (DE) 2011-11-30 EP disclosed
US-20110237473-A1 USE OF ESTER GROUP-INCLUDING POLYMERS AS ANTIFATIGUE ADDITIVES EVONIK ROHMAX ADDITIVES GMBH (DE) 2011-09-29 US disclosed
WO-2011086049-A1 PROCESS FOR THE PREPARATION OF CARBON NANOTUBES HAVING HYDROXYALKYL ESTER GROUPS, AND MATERIALS AND DISPERSIONS CONTAINING THESE CARBON NANOTUBES BAYER MATERIALSCIENCE AG (DE) 2011-07-21 WO disclosed
WO-2010115550-A1 CARBON NANOTUBES COMPRISING HYDROXY GROUPS, METHOD FOR THE PRODUCTION THEREOF AND POLYURETHANE POLYMERS COMPRISING SAID CARBON NANOTUBES BAYER MATERIALSCIENCE AG (DE) 2010-10-14 WO disclosed
EP-2239290-A1 Carbon nanotubes containing hydroxyl groups, method for creating same and polyurethane polymers containing these carbon nanotubes Bayer MaterialScience AG (DE) 2010-10-13 EP disclosed
EP-1440106-A1 PROCESS FOR THE ALKOXYLATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF NOVEL FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2004-07-28 EP disclosed
EP-1005500-B1 METHOD FOR PREPARING POLYETHER POLYOLS BAYER AG (DE) 2003-12-17 EP disclosed
EP-0965582-B1 Carbodiimide based on 1,3-bis-(1-methyl-1-isocyanatoethyl)-benzene BASF AG (DE) 2003-09-10 EP disclosed
WO-2003035717-A1 PROCESS FOR THE ALKOXYLATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF NOVEL FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2003-05-01 WO disclosed
US-20030078311-A1 Process for the alkoxylation of organic compounds in the presence of novel framework materials REGENTS OF THE UNIVERSITY OF MICHIGAN (50%), THE 2003-04-24 US disclosed
EP-0949285-B1 Process for manufacturing polyurethane foam BASF AG (DE) 2002-06-12 EP disclosed
EP-0978523-A1 Process for the preparation of compact, transparent polyisocyanate-polyaddition products BASF AKTIENGESELLSCHAFT (DE) 2000-02-09 EP disclosed
EP-0965582-A2 Carbodiimide based on 1,3-bis-(1-methyl-1-isocyanatoethyl)-benzene BASF AKTIENGESELLSCHAFT (DE) 1999-12-22 EP disclosed
EP-0949285-A1 Process for manufacturing polyurethane foam BASF AKTIENGESELLSCHAFT (DE) 1999-10-13 EP disclosed