SCHEMBL111519

SCHEMBL111519

O=[N+]([O-])c1cc(O)ccc1NCCCO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.55
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KAT2B Q92831 4/20 0.52
HCAR3 P49019 3/20 0.52
MAPT P10636 4/20 0.50
GSTM2 P28161 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1814295 0.91 ALDH1A1 (0.55) PRSS1ALDH1A1TSHRTDP1KAT2B
SCHEMBL24055 0.91 ALDH1A1 (0.63) PRSS1ALDH1A1TSHRTDP1KAT2B
SCHEMBL29410422 0.91 ALDH1A1 (0.63) PRSS1ALDH1A1TSHRTDP1KAT2B
Bromide SCHEMBL28440810 0.89 ALDH1A1 (0.62) PRSS1ALDH1A1TSHRTDP1KAT2B
SCHEMBL12613696 0.88 ALDH1A1 (0.54) PRSS1ALDH1A1TSHRTDP1KAT2B
SCHEMBL8509227 0.87 HCAR3 (0.69) PRSS1ALDH1A1TDP1KAT2BHCAR3
SCHEMBL10895100 0.85 HCAR3 (0.70) PRSS1ALDH1A1TDP1KAT2BHCAR3
Methoxymethane SCHEMBL7085872 0.85 ALDH1A1 (0.58) ALDH1A1TSHRTDP1KAT2BHCAR3
SCHEMBL6233037 0.85 ALDH1A1 (0.67) PRSS1ALDH1A1TSHRTDP1KAT2B
SCHEMBL8645160 0.85 ALDH1A1 (0.57) PRSS1ALDH1A1TSHRTDP1KAT2B

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

Appears in 2594 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980205-B Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dye product 江苏省食品药品监督检验研究院 2025-04-22 CN claimed
WO-2025047878-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, UREA AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
US-20240390250-A1 CLEANSING DYE COMPOSITIONS KAO USA INC. (US) 2024-11-28 US claimed
WO-2024049223-A1 COMPOSITION FOR DYEING AND CLEANSING HAIR 애경산업(주) 2024-03-07 WO claimed
US-20230414484-A1 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2023-12-28 US claimed
CN-117222397-A Granular hair dyeing composition 威娜德国有限责任公司 2023-12-12 CN claimed
CN-117100625-A Hair dyeing shampoo with alopecia preventing effect and preparation method thereof 苏州工业园区安诺科斯化妆品研发有限公司 2023-11-24 CN claimed
EP-4247323-A2 GRANULATED HAIR DYE COMPOSITION Wella Germany GmbH (DE) 2023-09-27 EP claimed
WO-2023171931-A1 HAIR COLORING SHAMPOO COMPOSITION (주)아모레퍼시픽 2023-09-14 WO claimed
CN-115055066-B Microporous polymer particle/polymer mixed matrix membrane and preparation method and application thereof 南京工业大学 2023-07-07 CN claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0673926-A1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres L'OREAL (FR) 1995-09-27 EP claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
EP-0646108-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1995-04-05 EP claimed
EP-0646109-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES. OREAL (FR) 1995-04-05 EP claimed
WO-1994000415-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 WO claimed
EP-0460127-B1 HAIR TONING AGENT IN FOAM FORM Wella Aktiengesellschaft (DE) 1993-01-20 EP claimed
EP-0460127-A1 HAIR TONING AGENT IN FOAM FORM. WELLA AG (DE) 1991-12-11 EP claimed
WO-1991009588-A1 HAIR TONING AGENT IN FOAM FORM WELLA AKTIENGESELLSCHAFT (DE) 1991-07-11 WO claimed