SCHEMBL6950665

SCHEMBL6950665

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

nearest known ligand 0.37

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
SCHEMBL14612210 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9302609 0.80
SCHEMBL26084905 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9016288 0.78
SCHEMBL25673052 0.78 ALDH1A1 (0.42) ALDH1A1
SCHEMBL19518913 0.77
SCHEMBL276000 0.77
SCHEMBL19873166 0.76 GABRR1 (0.31)
SCHEMBL276734 0.75 GABRR1 (0.33)
SCHEMBL5886366 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181005-A1 Impact modified polymer compositions BAYER AKTIENGESELLSCHAFT (DE) 2004-09-16 US disclosed