SCHEMBL8013797

SCHEMBL8013797

CC(CO)CCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
DUT P33316 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
SCHEMBL4188025 1.00 TSHR (0.34) TSHRDUT
SCHEMBL12770685 0.95 TSHR (0.35) TSHRDUT
SCHEMBL19090869 0.87 TSHR (0.38) TSHR
SCHEMBL8329760 0.82 USP2 (0.33) DUT
SCHEMBL14513909 0.82 USP2 (0.33) DUT
SCHEMBL31644643 0.81 DUT (0.35) DUT
SCHEMBL3206063 0.81 DUT (0.35) DUT
SCHEMBL31644831 0.81 DUT (0.35) DUT
SCHEMBL18099209 0.81 DUT (0.36) DUT
SCHEMBL28427826 0.81 ACE2 (0.36) DUT

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-6156905-A Deoxy epothilones and intermediates utilized in the process for preparing epothilones NOVARTIS AG (CH) 2000-12-05 US disclosed
US-6043372-A USEFUL CHEMICAL INTERMEDIATES FOR ANTICARCINOGENIC EPITHILONES NOVARTIS AG (CH) 2000-03-28 US disclosed
US-5969145-A Process for the production of epothilones and intermediate products within the process NOVARTIS AG (CH) 1999-10-19 US disclosed