SCHEMBL727766

SCHEMBL727766

CCCCCCCCCCCc1ncc[nH]1.Fc1c(F)c(F)c2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c(F)c(F)c2c1F.Fc1c(F)c(F)c2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c(F)c(F)c2c1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
TERT O14746 1/20 0.35
F2RL1 P55085 3/20 0.33
NAMPT P43490 2/20 0.31
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL22163935 0.95 TBXAS1 (0.46) TBXAS1TERTF2RL1NAMPTHTR1A
SCHEMBL22163888 0.95 TBXAS1 (0.46) TBXAS1TERTF2RL1NAMPTHTR1A
SCHEMBL61205 0.95 TBXAS1 (0.46) TBXAS1TERTF2RL1NAMPTHTR1A
SCHEMBL61763 0.95 TBXAS1 (0.46) TBXAS1TERTF2RL1NAMPTHTR1A
SCHEMBL5675696 0.82 TBXAS1 (0.42) TBXAS1TERTNAMPTHTR1ATAAR1
SCHEMBL25380441 0.80 TBXAS1 (0.59) TBXAS1TERTHTR1ATAAR1ALDH1A1
SCHEMBL2775177 0.80 TBXAS1 (0.59) TBXAS1TERTHTR1ATAAR1ALDH1A1
SCHEMBL64393 0.80 TBXAS1 (0.59) TBXAS1TERTHTR1ATAAR1ALDH1A1
SCHEMBL73945 0.80 TBXAS1 (0.59) TBXAS1TERTHTR1ATAAR1ALDH1A1
SCHEMBL23071637 0.80 TBXAS1 (0.59) TBXAS1TERTHTR1ATAAR1ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4722287-B2 2011-07-13 JP claimed
EP-1228109-B1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 EP claimed
US-6716786-B1 LEWIS ACIDS AND BASES THE DOW CHEMICAL COMPANY 2004-04-06 US claimed
EP-1056752-B1 Catalyst activators comprising expanded anions DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-25 EP claimed
US-6462156-B2 AS POLYMERIZATION CATALYST FOR PRODUCING OLEFIN POLYMERS THE DOW CHEMICAL COMPANY 2002-10-08 US claimed
US-20020132729-A1 Catalyst activators comprising expanded anions LAPOINTE ROBERT E (US) 2002-09-19 US claimed
EP-1228109-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2002-08-07 EP claimed
US-6395671-B2 ANION CONTAINING TWO LEWIS BASIC SITES WHICH ARE COORDINATED TO LEWIS ACIDS; FOR OLEFIN POLYMERIZATION THE DOW CHEMICAL COMPANY 2002-05-28 US claimed
US-20010027161-A1 Catalyst activators comprising expanded anions THE DOW CHEMICAL COMPANY 2001-10-04 US claimed
WO-2001023442-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO claimed
EP-1056752-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2000-12-06 EP claimed
WO-1999042467-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 1999-08-26 WO claimed
EP-1228109-B1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 EP disclosed
US-6716786-B1 LEWIS ACIDS AND BASES THE DOW CHEMICAL COMPANY 2004-04-06 US disclosed
EP-1056752-B1 Catalyst activators comprising expanded anions DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-25 EP disclosed
US-6462156-B2 AS POLYMERIZATION CATALYST FOR PRODUCING OLEFIN POLYMERS THE DOW CHEMICAL COMPANY 2002-10-08 US disclosed
US-20010027161-A1 Catalyst activators comprising expanded anions THE DOW CHEMICAL COMPANY 2001-10-04 US disclosed
WO-2001023442-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO disclosed
EP-1056752-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2000-12-06 EP disclosed
WO-1999042467-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 1999-08-26 WO disclosed