SCHEMBL27918074

SCHEMBL27918074

CC(C#N)CCCCCCCCCCCCCCCCCCn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 19/20 0.59

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
SCHEMBL11216310 0.82 TBXAS1 (0.70) TBXAS1
SCHEMBL1917309 0.82 TBXAS1 (0.70) TBXAS1
SCHEMBL27225880 0.82 TBXAS1 (0.70) TBXAS1
SCHEMBL1918271 0.82 TBXAS1 (0.70) TBXAS1
SCHEMBL8251694 0.82 TBXAS1 (0.70) TBXAS1
SCHEMBL441071 0.80 TBXAS1 (0.67) TBXAS1
SCHEMBL11725061 0.79 TBXAS1 (0.68) TBXAS1
SCHEMBL11728012 0.79 TBXAS1 (0.68) TBXAS1
SCHEMBL2376103 0.78 TBXAS1 (0.70) TBXAS1
SCHEMBL11223045 0.78 TBXAS1 (0.70) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103074072-A Ionic liquid crystal containing rare earth metal and preparation method thereof UNIV SICHUAN 2013-05-01 — — CN disclosed
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