SCHEMBL21628202

SCHEMBL21628202

CC(C)(C)c1cccc2c1Nc1c(cccc1C(C)(C)C)S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
BCHE P06276 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX12 P18054 2/20 0.37
MAOA P21397 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
PTGS2 P35354 1/20 0.37
SNCA P37840 1/20 0.37

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
SCHEMBL29636472 1.00 CA2 (0.41) CA2BCHETDP1ALOX12MAOA
SCHEMBL9932693 0.87 NOX1 (0.53) BCHETDP1ALOX12MAOAMEN1
SCHEMBL29636443 0.73 BCHE (0.42) CA2BCHETDP1ALOX12MAOA
SCHEMBL2587087 0.73 BCHE (0.42) CA2BCHETDP1ALOX12MAOA
Iodide SCHEMBL13386176 0.71 BCHE (0.41) CA2BCHETDP1ALOX12MAOA
SCHEMBL28633173 0.71 CA2 (0.46) CA2BCHETDP1ALOX12PTGS1
SCHEMBL1720021 0.71 NOX1 (0.47) BCHETDP1ALOX12MAOAMEN1
SCHEMBL12139701 0.71 CA2 (0.41) CA2BCHETDP1ALOX12MAOA
SCHEMBL27418884 0.71 CA2 (0.41) CA2TDP1ALOX12MEN1KMT2A
SCHEMBL44485 0.70 NOX1 (0.46) BCHETDP1ALOX12MAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US claimed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 US claimed
EP-3830232-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS The Procter & Gamble Company (US) 2021-06-09 EP claimed
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 US claimed
WO-2020023812-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-01-30 WO claimed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 US claimed
US-20230392018-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY 2023-12-07 US disclosed
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 WO disclosed
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US disclosed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 US disclosed
EP-3830232-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS The Procter & Gamble Company (US) 2021-06-09 EP disclosed
WO-2020023812-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-01-30 WO disclosed
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 US disclosed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 US disclosed