SCHEMBL4915009

SCHEMBL4915009

CC(C)CC(C)NCCNCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA6 P23280 5/20 0.48
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA5A P35218 4/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CA3 P07451 3/20 0.48
ALOX15 P16050 3/20 0.48
CA1 P00915 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4915162 1.00 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL4915332 1.00 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL4914946 0.89 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL5040596 0.89 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL4742297 0.89 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL4917726 0.86 ALDH1A1 (0.35) CA12CA6CA7CA9CA14
SCHEMBL21799970 0.82 CASP2 (0.36) CA12CA6CA7CA9CA14
SCHEMBL1241849 0.81 ALDH1A1 (0.38) ALOX15ALDH1A1HSD17B10TSHR
SCHEMBL23489714 0.80 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL21799843 0.80 CA12 (0.39) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN claimed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN disclosed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed