SCHEMBL9765941

SCHEMBL9765941

N#CCCNCCNCCNCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA6 P23280 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA5B Q9Y2D0 5/20 0.58
CA2 P00918 4/20 0.58
CA4 P22748 4/20 0.58
CA5A P35218 4/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
CA3 P07451 3/20 0.58
ALOX15 P16050 3/20 0.58
CA1 P00915 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL1913706 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL11875682 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL1260151 0.97
SCHEMBL2787125 0.90 CASP2 (0.62) CA12CA6CA7CA9CA14
SCHEMBL5153326 0.87
SCHEMBL28099538 0.86 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL11144102 0.86 ALDH1A1 (0.47) CA12CA6CA7CA9CA14
SCHEMBL1188228 0.86 ALDH1A1 (0.47) CA12CA6CA7CA9CA14
SCHEMBL28584833 0.86 ALDH1A1 (0.47) CA12CA6CA7CA9CA14
SCHEMBL2860384 0.85 CA12 (0.59) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4531582-A1 FILLERS FOR CHOCOLATE AND OTHER CONSUMABLES Voyage Foods, Inc. (US) 2025-04-09 EP disclosed
US-20240041062-A1 FILLERS FOR CHOCOLATE AND OTHER CONSUMABLES Voyage Foods, Inc. 2024-02-08 US disclosed
WO-2024015549-A1 FILLERS FOR CHOCOLATE AND OTHER CONSUMABLES Voyage Foods, Inc. (US) 2024-01-18 WO disclosed
CN-1273448-C Process for preparing arylalkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2006-09-06 CN disclosed
CN-1258527-C Process for preparing arylalkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2006-06-07 CN disclosed
CN-1195733-C Process for preparing arylalkyl hydroperoxides MITSUI PETROCHEMICAL IND (JP) 2005-04-06 CN disclosed
CN-1305992-A Process for preparing arylalkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-08-01 CN disclosed
CN-1305991-A Process for preparing arylalkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-08-01 CN disclosed
CN-1139670-A Process for preparing arylalkyl hydroperoxides MITSUI PETROCHEMICAL IND (JP) 1997-01-08 CN disclosed
US-4990672-A Cyanoethylation polyamine; hydrogenation; reductive alkylation AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-02-05 US disclosed