SCHEMBL3451340

SCHEMBL3451340

CCCCCCCCCCCCCCOCCC(N)CCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
OPRM1 P35372 1/20 0.43
USP2 O75604 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CES2 O00748 1/20 0.39
DNM1 Q05193 1/20 0.39

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
SCHEMBL775435 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL6262669 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL6259967 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL7790055 0.96 HTT (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL11231054 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL11230762 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL28010904 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL9177119 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL16986479 0.89 CYP3A4 (0.46) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL9807776 0.88 HTT (0.46) S1PR2S1PR1S1PR3S1PR4PLA2G1B

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370638-A1 CATIONIC NONIONIC BLENDS FOR CLEANING OILY SOILS Ecolab USA Inc. (US) 2024-05-22 EP disclosed
EP-4267709-A1 SOIL REMOVAL ON COTTON VIA TREATMENT IN THE RINSE STEP FOR ENHANCED CLEANING IN THE SUBSEQUENT WASH Ecolab USA Inc. (US) 2023-11-01 EP disclosed
EP-4237521-A1 LAUNDRY SOUR SOFTENER WITH EXTRA STABILITY AND ADDITIONAL BENEFITS OF LAUNDRY FIRE MITIGATION AND SUNSCREEN REMOVAL Ecolab USA Inc. (US) 2023-09-06 EP disclosed
WO-2023122196-A1 COMPOSITIONS COMPRISING MULTIPLE CHARGED CATIONIC COMPOUNDS FOR SOIL RELEASE ECOLAB USA INC. (US) 2023-06-29 WO disclosed
US-20230192929-A1 COMPOSITIONS COMPRISING MULTIPLE CHARGED CATIONIC COMPOUNDS FOR SOIL RELEASE ECOLAB USA INC. 2023-06-22 US disclosed
US-20230099021-A1 CATIONIC NONIONIC BLENDS FOR CLEANING OILY SOILS ECOLAB USA INC. 2023-03-30 US disclosed
WO-2023034951-A1 CATIONIC NONIONIC BLENDS FOR CLEANING OILY SOILS ECOLAB USA INC. (US) 2023-03-09 WO disclosed
US-20220219355-A1 Recycling Eutectic Composition NOVOCHEM GREEN ADDITIVES B.V. (NL) 2022-07-14 US disclosed
WO-2022140505-A1 SOIL REMOVAL ON COTTON VIA TREATMENT IN THE RINSE STEP FOR ENHANCED CLEANING IN THE SUBSEQUENT WASH ECOLAB USA INC. (US) 2022-06-30 WO disclosed
WO-2022140522-A1 LAUNDRY SOUR SOFTENER WITH EXTRA STABILITY AND ADDITIONAL BENEFITS OF LAUNDRY FIRE MITIGATION AND SUNSCREEN REMOVAL ECOLAB USA INC. (US) 2022-06-30 WO disclosed
US-7820602-B2 Amine tungstates and lubricant compositions KING INDUSTRIES, INC. (US) 2010-10-26 US disclosed
US-20090029888-A1 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS KING INDUSTRIES, INC. 2009-01-29 US disclosed
US-20080194440-A1 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS RAVICHANDRAN RAMANATHAN 2008-08-14 US disclosed
EP-1907517-A2 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS King Industries, Inc. (US) 2008-04-09 EP disclosed
US-20070042917-A1 Amine Tungstates and Lubricant Compositions KING INDUSTRIES, INC. 2007-02-22 US disclosed
WO-2007009022-A2 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS KING INDUSTRIES, INC. (US) 2007-01-18 WO disclosed
EP-1581325-A1 SOLUBILIZED DEFOAMERS FOR CEMENTITIOUS COMPOSITIONS Construction Research & Technology GmbH (DE) 2005-10-05 EP disclosed
US-6875801-B2 Solubilized defoamers for cementitious compositions CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2005-04-05 US disclosed
WO-2004056445-A1 SOLUBILIZED DEFOAMERS FOR CEMENTITIOUS COMPOSITIONS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2004-07-08 WO disclosed
US-20030187101-A1 Solubilized defoamers for cementitious compositions MBT HOLDING AG 2003-10-02 US disclosed