SCHEMBL7925843

SCHEMBL7925843

Cc1ccc(C([Ca]C(c2ccc(C)c(C)c2N)[Si](C)(C)C)[Si](C)(C)C)c(N)c1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL7108992 0.74 POLB (0.42) POLBNOS3NOS2
SCHEMBL3989159 0.69 POLB (0.38) POLBNOS3NOS2
SCHEMBL6310146 0.68 POLB (0.37) POLBNOS3NOS2
SCHEMBL394750 0.66 POLB (0.68) POLBNOS3NOS2
SCHEMBL29366969 0.62 POLB (0.48) POLBNOS3NOS2
SCHEMBL34364 0.62 POLB (0.48) POLBNOS3NOS2
SCHEMBL8934386 0.61 POLB (0.54) POLBNOS3NOS2
Methane SCHEMBL701905 0.60 POLB (0.46) POLBNOS3NOS2
Hydrochloric Acid SCHEMBL10761313 0.60 POLB (0.46) POLBNOS3NOS2
Hydrochloric Acid SCHEMBL5183951 0.60 POLB (0.46) POLBNOS3NOS2

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
EP-1159306-A1 HETEROLEPTIC ALKALINE-EARTH METAL COMPOUNDS AND METHODS FOR CARRYING OUT STEREOSELECTIVE ANIONIC POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 2001-12-05 EP disclosed
WO-2000050468-A1 HETEROLEPTIC ALKALINE-EARTH METAL COMPOUNDS AND METHODS FOR CARRYING OUT STEREOSELECTIVE ANIONIC POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed