SCHEMBL6354922

SCHEMBL6354922

Cc1cccc(C)c1N[Si](Nc1c(C)cccc1C)(c1ccccc1)c1ccccc1.Cc1cccc(C)c1N[Si](Nc1c(C)cccc1C)(c1ccccc1)c1ccccc1.[Ti]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
TSHR P16473 3/20 0.36
ACHE P22303 2/20 0.36
PTGS2 P35354 2/20 0.35
CXCR2 P25025 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
P2RX7 Q99572 2/20 0.33
ALOX12 P18054 1/20 0.33
HTR1D P28221 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7691868 0.98 POLB (0.38) POLBTSHRACHEPTGS2CXCR2
Hydrochloric Acid SCHEMBL6362148 0.94 HTR1D (0.36) POLBTSHRACHEPTGS2CXCR2
Tetrahydrofuran SCHEMBL7687277 0.82 LMNA (0.33) POLBTSHRALDH1A1P2RX7LMNA
Tetrahydrofuran SCHEMBL7687279 0.82 HTR1D (0.33) POLBTSHRALDH1A1P2RX7HTR1D
SCHEMBL7686136 0.74 KMT2A (0.41) ACHEPTGS2ALDH1A1SMN1; SMN2
SCHEMBL7686146 0.71 TSHR (0.35) TSHRHTTLMNA
SCHEMBL6676436 0.70 CYP1A2 (0.39) POLBTSHRACHEALDH1A1HTR1D
SCHEMBL5139613 0.70 CYP1A2 (0.39) POLBTSHRACHEALDH1A1HTR1D
SCHEMBL7105315 0.67 ALDH1A1 (0.43) TSHRPTGS2ALDH1A1SMN1; SMN2ALOX12
SCHEMBL7109817 0.67 HTR1D (0.36) POLBTSHRACHEALDH1A1HTR1D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US claimed
WO-1998045039-A1 POLYMERIZATION CATALYSTS CONTAINING ELECTRON-WITHDRAWING AMIDE LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-15 WO claimed
US-20050090383-A1 Metal complex compositions and their use as catalysts to produce polydienes THIELE SVEN K (DE) 2005-04-28 US disclosed
EP-1436332-A2 METAL COMPLEX COMPOSITIONS AND THEIR USE AS CATALYSTS TO PRODUCE POLYDIENES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-07-14 EP disclosed
WO-2003033545-A2 METAL COMPLEX COMPOSITIONS AND THEIR USE AS CATALYSTS TO PRODUCE POLYDIENES DOW GLOBAL TECHNOLOGIES INC. (US) 2003-04-24 WO disclosed
US-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US disclosed
WO-1998045039-A1 POLYMERIZATION CATALYSTS CONTAINING ELECTRON-WITHDRAWING AMIDE LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-15 WO disclosed