1,2,4-Triazole

1,2,4-Triazole

SCHEMBL7076445

CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1nc[nH]n1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 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
Imidazole SCHEMBL7070534 0.80 ALDH1A1 (0.33) S1PR2S1PR1S1PR3S1PR5
SCHEMBL7075653 0.75 HTT (0.30)
Benzimidazole SCHEMBL217445 0.72 EPHX1 (0.34) HTR7
Dimedazol SCHEMBL7074847 0.72 EPHX1 (0.34)
SCHEMBL7072003 0.71 S1PR2 (0.34) S1PR2S1PR1S1PR3S1PR5
SCHEMBL31255986 0.63 S1PR2 (0.42) HTR7S1PR2S1PR1S1PR3S1PR5
SCHEMBL22163888 0.62 TBXAS1 (0.46)
SCHEMBL25463105 0.62 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5
SCHEMBL9493560 0.62 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5
SCHEMBL408903 0.62 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5

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
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-20020132729-A1 Catalyst activators comprising expanded anions LAPOINTE ROBERT E (US) 2002-09-19 US disclosed
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 disclosed
US-20010027161-A1 Catalyst activators comprising expanded anions THE DOW CHEMICAL COMPANY 2001-10-04 US 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