SCHEMBL4908682

SCHEMBL4908682

CCCCC(CC)CNCCNCCNCCN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CYP3A4 P08684 4/20 0.67
TSHR P16473 4/20 0.67
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 2/20 0.44
LMNA P02545 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
TP53 P04637 3/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
ALOX15 P16050 2/20 0.42
CA1 P00915 1/20 0.42
MEN1 O00255 3/20 0.39

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
SCHEMBL4914031 1.00 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4917085 1.00 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL197951 0.96 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1KDM4E
Hydrochloric Acid SCHEMBL28431270 0.94 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRTDP1KDM4E
Ethylenediamine SCHEMBL5032271 0.94 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4913063 0.92 TSHR (0.78) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4914939 0.92 TSHR (0.78) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL5034731 0.92 TSHR (0.78) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL29057251 0.91 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1KDM4E
SCHEMBL4909383 0.90 TSHR (0.82) ALDH1A1CYP3A4TSHRTDP1KDM4E

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 14 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
CN-103562255-B Aqueous polyurethane resin dispersion and containing its composition for coating UBE INDUSTRIES, LTD. (JP) 2015-09-23 CN disclosed
CN-104884493-A Aqueous polyurethane resin dispersion and use of same UBE INDUSTRIES 2015-09-02 CN disclosed
CN-103562255-A Aqueous polyurethane resin dispersion and coating composition comprising same UBE INDUSTRIES 2014-02-05 CN 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