SCHEMBL4916655

SCHEMBL4916655

CCC(C)CNCCNCCNCC(C)CC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4909539 1.00 ALDH1A1 (0.30) ALDH1A1TSHRMEN1GLACYP2C19
SCHEMBL5038322 1.00 ALDH1A1 (0.30) ALDH1A1TSHRMEN1GLACYP2C19
SCHEMBL4915543 0.97 TSHR (0.30) TSHR
SCHEMBL20206507 0.90
SCHEMBL10045236 0.89 CYP2C19 (0.46) ALDH1A1TSHRMEN1GLACYP2C19
SCHEMBL19836687 0.88 LMNA (0.30)
SCHEMBL4909300 0.88 CA12 (0.50) ALDH1A1TSHRMEN1CYP2C19KMT2A
SCHEMBL4915018 0.88 CA12 (0.50) ALDH1A1TSHRMEN1CYP2C19KMT2A
SCHEMBL4917435 0.88 CA12 (0.50) ALDH1A1TSHRMEN1CYP2C19KMT2A
SCHEMBL10045229 0.87 CYP2C19 (0.48) ALDH1A1TSHRMEN1GLACYP2C19

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