SCHEMBL5043154

SCHEMBL5043154

Fc1cc(F)c(-c2c(F)cc(F)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5084618 0.97 CA1 (0.36) CA1CA2CA4CA12CA7
SCHEMBL31711779 0.97 CA1 (0.36) CA1CA2CA4CA12CA7
SCHEMBL4601549 0.94 CA1 (0.35) CA1CA2CA4CA12CA7
SCHEMBL31711757 0.91 CA1 (0.33) CA1CA2CA4CA12CA7
Boric Acid SCHEMBL6516482 0.88 CA1 (0.37) CA1CA2CA4CA12CA7
SCHEMBL31711777 0.88 ESR1 (0.34) CA1CA2CA4CA12CA7
SCHEMBL12693559 0.83 CA1 (0.31) CA1CA2CA4CA12CA7
SCHEMBL6418797 0.82
SCHEMBL10918631 0.82 LMNA (0.39) ALDH1A1LMNA
SCHEMBL31711742 0.81 CA1 (0.39) CA1CA2CA4CA12CA7

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-7417006-B2 Catalyst system for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2008-08-26 US disclosed
EP-1392705-B1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-01-05 EP disclosed
US-20040132612-A1 Catalyst system for the polymerization of olefins BASEL POLYOLEFINE GMBH (DE) 2004-07-08 US disclosed
EP-1392705-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS Basell Polyolefine GmbH (DE) 2004-03-03 EP disclosed
EP-1272532-A1 SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-01-08 EP disclosed
WO-2002102811-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-12-27 WO disclosed
WO-2001068718-A1 SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-09-20 WO disclosed