SCHEMBL6792443

SCHEMBL6792443

CCCN(CCC)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 3/20 0.35
ALDH1A3 P47895 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HCAR3 P49019 1/20 0.31
IGLV6-57 P01721 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RIPK1 Q13546 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
SCHEMBL6796191 0.92 IGLV6-57 (0.35) ALDH3A1ALDH1A3ALDH1A1IGLV6-57
SCHEMBL6791662 0.90
SCHEMBL5715850 0.85 DNM1 (0.34) TDP1
SCHEMBL5716558 0.85 DNM1 (0.34) TDP1
SCHEMBL28269588 0.84 ALDH3A1 (0.33) ALDH3A1ALDH1A3ALDH1A1
SCHEMBL5716236 0.83 DNM1 (0.33) CYP3A4MAPK1
SCHEMBL6443653 0.82 DAO (0.33) ALDH1A1HCAR3
SCHEMBL5715797 0.81 CYP3A4 (0.31) CYP3A4TSHRMAPK1TDP1
SCHEMBL5715816 0.78 KDM4E (0.34) CYP3A4MAPK1TDP1
SCHEMBL5716392 0.78 CYP3A4 (0.35) CYP3A4TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed