SCHEMBL28027504

SCHEMBL28027504

C=C[C@H]1CC[C@H](C(I)CC)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.30

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
SCHEMBL28027507 0.82 CYP3A4 (0.33)
SCHEMBL19539461 0.82
SCHEMBL18869513 0.78 SHBG (0.32) SHBG
SCHEMBL7031940 0.72
SCHEMBL12094462 0.72
Butane SCHEMBL11040257 0.71
SCHEMBL29048888 0.71
SCHEMBL4293265 0.71
SCHEMBL20160619 0.71
SCHEMBL634334 0.70 SHBG (0.56) SHBG

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-103539640-B A kind of butene-based liquid crystal compounds and preparation method thereof In energy-conservation ten thousand profit limited-liability company (CN) 2016-01-06 CN disclosed