SCHEMBL6429573

SCHEMBL6429573

CC(C#N)C(C)(C)CCCCCCCCCCC(C)(C)C(C)C#N

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
SCHEMBL3114413 0.84 TSHR (0.38) TSHR
SCHEMBL20457455 0.73 TSHR (0.36) TSHR
SCHEMBL11276158 0.72 TSHR (0.33) TSHR
SCHEMBL24515074 0.72 TSHR (0.34) TSHR
SCHEMBL6060603 0.69 FFAR1 (0.31)
SCHEMBL16556829 0.68 TSHR (0.32) TSHR
SCHEMBL5520111 0.67 FFAR1 (0.38)
SCHEMBL17935623 0.67 TSHR (0.35) TSHR
SCHEMBL11020441 0.67 SMPD1 (0.37) TSHR
SCHEMBL13900602 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed