SCHEMBL7950408

SCHEMBL7950408

CN(C1=CC([Ti](Cl)(Cl)(NC(C)(C)C)[SiH](C)C)c2ccccc21)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
CES1 P23141 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
SCHEMBL7950425 0.87 KMT2A (0.31)
SCHEMBL7950488 0.76 GAA (0.32)
SCHEMBL7942842 0.76
SCHEMBL29171497 0.73 KMT2A (0.33)
SCHEMBL7952863 0.72 DRD2 (0.31)
SCHEMBL7951047 0.71 TSHR (0.32)
SCHEMBL6911222 0.68 PTPN1 (0.35) PTPN1CES1
SCHEMBL5611105 0.68
SCHEMBL6906910 0.67 CES1 (0.42) PTPN1CES1
Hydrochloric Acid SCHEMBL7950405 0.67 PTPN1 (0.33) PTPN1CES1

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
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US claimed