SCHEMBL2635903

SCHEMBL2635903

COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(C=O)cc2)NC(=O)O)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL15345993 0.93 SPPL2A (0.54)
SCHEMBL15345991 0.93 SPPL2A (0.54)
SCHEMBL12783335 0.93
SCHEMBL13174238 0.93
SCHEMBL1804867 0.90 SPPL2A (0.60)
SCHEMBL1804868 0.90 SPPL2A (0.60)
SCHEMBL1804866 0.90 SPPL2A (0.60)
SCHEMBL6099960 0.90 SPPL2A (0.60)
SCHEMBL2903476 0.90 SPPL2A (0.57)
SCHEMBL2903479 0.90 SPPL2A (0.57)

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-2570416-B1 Antiviral bisfuran derivative as hiv protease inhibitor and intermediates thereof GILEAD SCIENCES INC (US) 2016-03-16 EP disclosed
US-20130172295-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 US disclosed
US-8431745-B2 Process for preparation of HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120258935-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHBITORS GILEAD SCIENCES, INC. (US) 2012-10-11 US disclosed
US-20110065631-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC (US) 2011-03-17 US disclosed