SCHEMBL11038404

SCHEMBL11038404

CCC(C(O)C(O)C(CC)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.30
HIF1A Q16665 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
SCHEMBL6341692 0.88 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL4913990 0.83 ALDH1A1 (0.52) ALDH1A1TSHRHPGDHIF1A
SCHEMBL18095960 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2918544 0.82
SCHEMBL1650676 0.82 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL20094888 0.81 ALDH1A1 (0.34) ALDH1A1
Nitric Acid SCHEMBL7573471 0.78 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL16099378 0.77 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL6338975 0.77 LMNA (0.40) ALDH1A1TSHR
SCHEMBL16093688 0.77 ALDH1A1 (0.38) ALDH1A1TSHR

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
US-4431699-A REDUCTION OF RESIDUAL FORMALDEHYDE CONTENT ANGUS CHEMICAL COMPANY (US) 1984-02-14 US claimed
US-4431699-A REDUCTION OF RESIDUAL FORMALDEHYDE CONTENT ANGUS CHEMICAL COMPANY (US) 1984-02-14 US disclosed