SCHEMBL3686453

SCHEMBL3686453

C/C=C/CCC(N)CCC

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
METAP1 P53582 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
SCHEMBL3686456 1.00 ALDH1A1 (0.39) ALDH1A1METAP1
SCHEMBL19092984 0.90 GRIK1 (0.30)
SCHEMBL19093042 0.85 S1PR2 (0.43) ALDH1A1
SCHEMBL17154318 0.83
SCHEMBL652102 0.81 ALDH1A1 (0.50) ALDH1A1
SCHEMBL27945760 0.81
SCHEMBL24166625 0.78
SCHEMBL8364748 0.78
SCHEMBL8364746 0.78
SCHEMBL23449936 0.76

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
WO-2022261068-A1 METHODS AND TREATMENT OF VIRAL INFECTION WITH SUBSTITUTED FURO-PYRIMIDINES Verge Analytics, Inc. (US) 2022-12-15 WO disclosed
US-20100298504-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-11-25 US disclosed
WO-2009038544-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-03-26 WO disclosed
WO-2008009735-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed