SCHEMBL8899003

SCHEMBL8899003

C[C@@H](N)N([C@@H](C)N)[C@@H](C)N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL45867 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3964186 0.95 ALDH1A1 (0.31) ALDH1A1
Ammonia Solution, Strong SCHEMBL2802200 0.95 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3459506 0.82
SCHEMBL27755518 0.79
SCHEMBL818032 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11540850 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL816713 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL170626 0.70
SCHEMBL21401881 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656699-A POLYAMINES CONTAINING AMIDE GROUPS CROSSLINKED BY BIFUNCTIONAL ALKYLATING AGENT SELECTED FROM DIHALOPROPANOL OR GLYCIDYL ESTER OF ALKANE OR ARYL SULFONIC ACID AND AN EPIHALOHYDRIN; INCREAING MOLECULAR WEIGHT HERCULES INCORPORATED (US) 1997-08-12 US disclosed
EP-0678620-A2 Oligoamide-epichlorohydrin resins as drainage aids HERCULES INCORPORATED (US) 1995-10-25 EP disclosed