SCHEMBL25332541

SCHEMBL25332541

C[S+]([O-])CCCCCCCCCCCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.54
TRPA1 O75762 8/20 0.48
MIF P14174 4/20 0.48
GSK3B P49841 1/20 0.46
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
BACH1 O14867 1/20 0.42
MAFK O60675 1/20 0.42
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL1607282 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL5070755 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1607124 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1607149 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL14933784 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL14933787 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1606718 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL106183 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL2485837 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
Sulforaphane SCHEMBL20855320 0.98 NAAA (0.50) NAAATRPA1MIFGSK3BKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066293-A1 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2025-02-27 US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 WO disclosed