Imidazole

Imidazole

SCHEMBL7070534

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.c1c[nH]cn1

nearest known ligand 0.35

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
FKBP5 Q13451 1/20 0.33
KDM5A P29375 1/20 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 SCHEMBL6401213 0.85 ALDH1A1 (0.33) ALDH1A1FKBP5KDM5AS1PR2S1PR1
1,2,4-Triazole SCHEMBL7076445 0.80 HTR7 (0.31) S1PR2S1PR1S1PR3S1PR5
Imidazole SCHEMBL62032 0.78 ALDH1A1 (0.54) ALDH1A1FKBP5
Imidazole SCHEMBL28506943 0.76 DNM1 (0.54) ALDH1A1FKBP5
SCHEMBL7075653 0.75 HTT (0.30) KDM5A
Imidazole SCHEMBL27756359 0.73 ALDH1A1 (0.62) ALDH1A1FKBP5
Heptane SCHEMBL28173922 0.73 ALDH1A1 (0.62) ALDH1A1FKBP5
Hexadecane SCHEMBL28142957 0.73 ALDH1A1 (0.62) ALDH1A1FKBP5
Octane SCHEMBL28359677 0.73 ALDH1A1 (0.62) ALDH1A1FKBP5
Tetradecane SCHEMBL28143659 0.73 ALDH1A1 (0.62) ALDH1A1FKBP5

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 5 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