SCHEMBL4913063

SCHEMBL4913063

CCCCC(CC)CNCCNCCNCC(CC)CCCC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.78
ALDH1A1 P00352 6/20 0.78
CYP3A4 P08684 4/20 0.78
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
CA2 P00918 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5034731 1.00 TSHR (0.78) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL4914939 1.00 TSHR (0.78) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL4909383 0.98 TSHR (0.82) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL4914031 0.92 ALDH1A1 (0.67) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL4917085 0.92 ALDH1A1 (0.67) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL4908682 0.92 ALDH1A1 (0.67) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL172289 0.91 TSHR (0.78) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL2404148 0.91 TSHR (0.78) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL7785935 0.89 ALDH1A1 (0.75) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL3662708 0.89 TSHR (0.75) TSHRALDH1A1CYP3A4KDM4ETDP1

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-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP 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
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