SCHEMBL11211247

SCHEMBL11211247

CC1(C2(C)C(N=C=O)CCCC2N=C=O)CCC(N=C=O)CC1N=C=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28914578 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1980291 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19859417 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11872608 0.68 SIGMAR1 (0.38) ALDH1A1
SCHEMBL12841557 0.68 SIGMAR1 (0.38) ALDH1A1
SCHEMBL28837365 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2584848 0.67 ALDH1A1 (0.67) ALDH1A1
SCHEMBL33061 0.67 ALDH1A1 (0.67) ALDH1A1
SCHEMBL8619404 0.67 ALDH1A1 (0.67) ALDH1A1
SCHEMBL30294089 0.66 ALDH1A1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035158-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES WITH A BIURET STRUCTURE BAYER AG (DE) 1983-08-17 EP disclosed
US-4282147-A Dispersion of aromatic isocyanatosulfonic acid uretdiones in organic polyisocyanates and a process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed