SCHEMBL7417842

SCHEMBL7417842

CC(C)(C)[Si](C)(C)OCCCC(=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.37
TSHR P16473 1/20 0.31

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
SCHEMBL8864847 0.95 DUT (0.36) DUTTSHR
SCHEMBL8865215 0.93 DUT (0.35) DUT
SCHEMBL6545080 0.86 TSHR (0.42) TSHR
SCHEMBL11635954 0.85 TSHR (0.50) DUTTSHR
SCHEMBL31651588 0.82 CYP1A2 (0.47) DUTTSHR
SCHEMBL6545278 0.82 TSHR (0.38) TSHR
SCHEMBL28516260 0.81 DUT (0.39) DUT
SCHEMBL4590603 0.81 ALDH1A1 (0.41) DUTTSHR
SCHEMBL875754 0.81 DUT (0.39) DUT
SCHEMBL27321456 0.81 DGKA (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733882-A Retroviral protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1998-03-31 US disclosed
EP-0602069-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
EP-0602069-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-22 EP disclosed
WO-1993002057-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-04 WO disclosed