SCHEMBL8026137

SCHEMBL8026137

CCC(O)C(C)(C)C1CCOC(C)(C)O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL4189758 1.00 TSHR (0.32) TSHR
SCHEMBL4189755 1.00 TSHR (0.32) TSHR
SCHEMBL4196513 0.88
SCHEMBL4196520 0.88
SCHEMBL4190035 0.83 PABPC1 (0.30)
SCHEMBL4199857 0.82 PABPC1 (0.32)
SCHEMBL7107515 0.81
SCHEMBL4192127 0.76 NPSR1 (0.36)
SCHEMBL10850437 0.73
SCHEMBL10850432 0.73

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
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
EP-0923583-A1 METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS Novartis AG (CH) 1999-06-23 EP disclosed
WO-1998008849-A1 METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS NOVARTIS AKTIENGESELLSCHAFT (CH) 1998-03-05 WO disclosed