SCHEMBL6029917

SCHEMBL6029917

CC(N)CNC(C)NCC(C)N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
GBA1 P04062 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
SCHEMBL13337108 0.80
SCHEMBL13673856 0.80
SCHEMBL28385888 0.80
SCHEMBL13673906 0.80
SCHEMBL16562296 0.80
SCHEMBL19934655 0.79
Ammonia Solution, Strong SCHEMBL10763153 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL28845338 0.75 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL10754291 0.75
SCHEMBL187701 0.75 ALDH1A1 (0.43) 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-1620066-A2 ORAL CARE METHODS AND PRODUCTS DMI Biosciences, Inc. (US) 2006-02-01 EP claimed
WO-2004100884-A2 ORAL CARE METHODS AND PRODUCTS DMI BIOSCIENCES, INC. (US) 2004-11-25 WO claimed
US-20050002876-A1 Oral care methods and products AMPIO PHARMACEUTICALS, INC. 2005-01-06 US disclosed
EP-0705250-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-10 EP disclosed