SCHEMBL18133149

SCHEMBL18133149

C=C(C)C(=O)OC1(C)CC(C)(C)N(Cl)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22874099 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18133151 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13900360 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18133150 0.77
SCHEMBL18133523 0.77
SCHEMBL13900353 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27945670 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL13900356 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL17181576 0.72
SCHEMBL47313 0.71 ALDH1A1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297911-A1 NOVEL COPOLYMER WITH CYCLIC HALAMINE STRUCTURE NIPPON SODA CO., LTD. (JP) 2016-10-13 US disclosed
US-20160297911-A1 NOVEL COPOLYMER WITH CYCLIC HALAMINE STRUCTURE NIPPON SODA CO., LTD. (JP) 2016-10-13 US disclosed
EP-3078683-A1 NOVEL COPOLYMER WITH CYCLIC HALAMINE STRUCTURE Nippon Soda Co., Ltd. (JP) 2016-10-12 EP disclosed