SCHEMBL7430669

SCHEMBL7430669

CC(C(O)C(O)C(C)N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TP53 P04637 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
SCHEMBL1979575 0.86 TP53 (0.33) TP53
SCHEMBL19138932 0.80 TP53 (0.36) TP53
SCHEMBL7939966 0.79 POLB (0.36) TP53
SCHEMBL14909893 0.79 ALDH1A1 (0.33)
SCHEMBL14910257 0.79 ALDH1A1 (0.33)
SCHEMBL14909609 0.79 ALDH1A1 (0.33)
SCHEMBL14910081 0.79 ALDH1A1 (0.33)
SCHEMBL14910256 0.79 TSHR (0.30)
SCHEMBL15611299 0.77 ALDH1A1 (0.32)
SCHEMBL14910117 0.77 RNPEP (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665215-A1 1,4-Diamino-2,3-dihydroxybutanes THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-08-02 EP disclosed
US-5430155-A Viricides, treatment of AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-04 US disclosed
US-5294720-A Viricides THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-15 US disclosed
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed
WO-1991018866-A2 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 WO disclosed