SCHEMBL7561541

SCHEMBL7561541

CC(N)CC(N)(CN)CC(C)N

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
FDPS P14324 1/20 0.36
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5164911 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16335742 0.78 ALDH1A1 (0.38) ALDH1A1FDPS
SCHEMBL27491942 0.77 FDPS (0.36) ALDH1A1FDPSTSHRMAPK1
SCHEMBL610776 0.74 CYP1A2 (0.39) ALDH1A1TSHRMAPK1
SCHEMBL22490938 0.74
SCHEMBL18627991 0.74
SCHEMBL9242300 0.74 ALDH1A1 (0.35) ALDH1A1FDPS
SCHEMBL8608678 0.74 ALDH1A1 (0.35) ALDH1A1FDPS
SCHEMBL11619934 0.71 ALDH1A1 (0.41) ALDH1A1FDPSTSHRMAPK1
SCHEMBL31614148 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754862-A Non-ionic self-emulsifying water-based epoxy curing agent and preparation method and application thereof 华南理工大学 2021-12-07 CN disclosed
EP-0793693-B2 PROCESS FOR COATING AND PRINTING SUBSTRATES BASF AG (DE) 2002-07-24 EP disclosed
EP-0793693-B1 PROCESS FOR COATING AND PRINTING SUBSTRATES BASF AG (DE) 1999-04-07 EP disclosed
EP-0831806-A1 MULTIDENTATE METAL COMPLEXES AND METHODS OF MAKING AND USING THEREOF WASHINGTON UNIVERSITY (US) 1998-04-01 EP disclosed
WO-1996040108-A1 MULTIDENTATE METAL COMPLEXES AND METHODS OF MAKING AND USING THEREOF WASHINGTON UNIVERSITY (US) 1996-12-19 WO disclosed