SCHEMBL2401060

SCHEMBL2401060

C=C(CCCCN(CC1CO1)CC1CO1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL2399605 0.95 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2398934 0.84 HPGD (0.41) ALDH1A1
SCHEMBL2403898 0.79 ALDH1A1 (0.42) ALDH1A1
SCHEMBL602979 0.78 ALDH1A1 (0.41) TBXAS1ALDH1A1
SCHEMBL11715962 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL475019 0.76 ALDH1A1 (0.44) TBXAS1ALDH1A1
SCHEMBL6653702 0.76 ALDH1A1 (0.44) TBXAS1ALDH1A1
SCHEMBL867196 0.76 ALDH1A1 (0.44) TBXAS1ALDH1A1
SCHEMBL865766 0.76 ALDH1A1 (0.44) TBXAS1ALDH1A1
SCHEMBL475005 0.75 ALDH1A1 (0.38) TBXAS1ALDH1A1

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-9315608-B2 Conjugated diene polymer rubber, and conjugated diene polymer rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20140206811-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-24 US disclosed
US-20110237737-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed