SCHEMBL7602998

SCHEMBL7602998

CCC1=C2c3ccccc3C1[Ti](C)(C)C1C(CC)=C(c3ccccc31)C2(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL797577 0.81 BCHE (0.35) GAAL3MBTL1
SCHEMBL7602958 0.74 HTT (0.32) GAAL3MBTL1HTR2A
SCHEMBL7602097 0.71
SCHEMBL797540 0.69 BCHE (0.35) GAAL3MBTL1
Hydrochloric Acid SCHEMBL7927066 0.66 GAA (0.33) GAAL3MBTL1
SCHEMBL7599191 0.64 HTR1A (0.34)
SCHEMBL7602016 0.61 HTR1A (0.33)
SCHEMBL7751992 0.59 GPR3 (0.35) HTR2A
SCHEMBL7603394 0.58 IDO1 (0.33) HTR2A
SCHEMBL7597779 0.58 IDO1 (0.33) HTR2A

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed