SCHEMBL5040596

SCHEMBL5040596

CC(C)CC(C)NCCNCCNCCNCCNC(C)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SIGMAR1 Q99720 3/20 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
SCHEMBL4742297 1.00 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SIGMAR1
SCHEMBL4914946 1.00 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SIGMAR1
SCHEMBL1241849 0.91 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SIGMAR1
SCHEMBL4915162 0.89 CA12 (0.48) ALDH1A1TSHR
SCHEMBL4915332 0.89 CA12 (0.48) ALDH1A1TSHR
SCHEMBL16314545 0.89 SLC6A4 (0.36) ALDH1A1TSHR
SCHEMBL4915009 0.89 CA12 (0.48) ALDH1A1TSHR
SCHEMBL31453491 0.87 LMNA (0.41)
SCHEMBL7113510 0.84 CYP2C19 (0.38) ALDH1A1TSHRSIGMAR1
SCHEMBL9453455 0.79 ALDH1A1 (0.31) ALDH1A1

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 4 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
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed