SCHEMBL28806958

SCHEMBL28806958

CCCC(C)CC1(Br)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

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
SCHEMBL27914391 0.81
SCHEMBL27932636 0.78
SCHEMBL24355585 0.75 TSHR (0.34) TSHR
SCHEMBL28160414 0.75 TSHR (0.39) TSHR
SCHEMBL28159921 0.75 TSHR (0.39) TSHR
SCHEMBL29006616 0.75 TSHR (0.34) TSHR
SCHEMBL11533849 0.74 TSHR (0.37) TSHR
SCHEMBL24355582 0.72 TSHR (0.36) TSHR
SCHEMBL28159920 0.72 TSHR (0.41) TSHR
SCHEMBL28826834 0.68 MME (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103242854-B Fluorine-containing liquid crystal compound XI'AN INST. OF MODERN CHEMISTRY (CN) 2014-10-15 CN disclosed
CN-103242854-A Fluorine-containing liquid crystal compound XIAN MODERN CHEMISTRY RES INST 2013-08-14 CN disclosed