SCHEMBL9013315

SCHEMBL9013315

CCCCCC1(CCC#N)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41

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
SCHEMBL9552930 0.91 TSHR (0.45) TSHR
SCHEMBL25392277 0.84 TSHR (0.35) TSHR
SCHEMBL30501696 0.84 TSHR (0.35) TSHR
SCHEMBL30501669 0.84 TSHR (0.35) TSHR
SCHEMBL25390367 0.84 TSHR (0.35) TSHR
SCHEMBL25392534 0.84 TSHR (0.35) TSHR
SCHEMBL5712582 0.84 TSHR (0.35) TSHR
SCHEMBL25392376 0.84 TSHR (0.35) TSHR
SCHEMBL25391257 0.82 TSHR (0.40) TSHR
SCHEMBL25392860 0.82 TSHR (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP disclosed
US-5468421-A Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1995-11-21 US disclosed
EP-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 EP disclosed