SCHEMBL2233259

SCHEMBL2233259

Cc1ccc(C2=Cc3ccccc3C2[Hf](C2C(c3ccc(C)c4ccccc34)=Cc3ccccc32)[SiH](C)C)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7252931 0.76 CYP1A2 (0.43) CYP1A2
SCHEMBL7644465 0.75 CYP1A2 (0.36) CYP1A2
SCHEMBL7996884 0.75 CYP1A2 (0.42) CYP1A2
SCHEMBL29775029 0.74
SCHEMBL2234745 0.74
Hydrochloric Acid SCHEMBL6898339 0.74 CYP1A2 (0.41) CYP1A2
SCHEMBL7645586 0.74 CYP1A2 (0.41) CYP1A2
Hydrochloric Acid SCHEMBL2235424 0.72
Hydrochloric Acid SCHEMBL21980376 0.69 CYP1A2 (0.35) CYP1A2
SCHEMBL1834546 0.67

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
EP-1799726-B1 TRIALKYLALUMINUM TREATED SUPPORTS EXXONMOBIL CHEM PATENTS INC (US) 2011-07-13 EP claimed