SCHEMBL7598615

SCHEMBL7598615

CC1=C(c2cccc3ccccc23)c2c3cccc2[Si](C)(C)c2cccc4c2C(c2cccc5ccccc25)=C(C)C4[Zr](C)(C)C13

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 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
SCHEMBL6887185 0.91
SCHEMBL7597026 0.87 DHFR (0.30) DHFR
SCHEMBL7597611 0.84
SCHEMBL797329 0.83 TLR8 (0.32) DHFR
SCHEMBL7602791 0.81 HTR7 (0.36) DHFR
Hydrochloric Acid SCHEMBL3356796 0.80 DHFR (0.35) DHFR
SCHEMBL7601455 0.80 DHFR (0.32) DHFR
Hydrochloric Acid SCHEMBL969634 0.80 DHFR (0.32) DHFR
Hydrochloric Acid SCHEMBL7586032 0.80 DHFR (0.32) DHFR
SCHEMBL6890201 0.80

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