SCHEMBL8415898

SCHEMBL8415898

CC[C@H]1CC[C@H](CC[Mg]Br)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL6711921 0.87
SCHEMBL8417237 0.86 CYP1A2 (0.39) CYP1A2
SCHEMBL8417235 0.86 CYP1A2 (0.39) CYP1A2
SCHEMBL8417217 0.84 CYP1A2 (0.54) CYP1A2
SCHEMBL8415891 0.84 CYP1A2 (0.54) CYP1A2
SCHEMBL4182684 0.77
SCHEMBL10346762 0.76 CYP1A2 (0.39) CYP1A2
SCHEMBL10346763 0.76 CYP1A2 (0.39) CYP1A2
SCHEMBL2763855 0.75 CYP1A2 (0.48) CYP1A2
SCHEMBL2222242 0.72 ALDH1A1 (0.37) CYP1A2

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-0648773-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-09-08 EP disclosed
US-5547606-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-20 US disclosed
EP-0648773-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-04-19 EP disclosed