SCHEMBL6602900

SCHEMBL6602900

CCCCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCCCC(O)C(=O)[O-].[Al+3].[Mg+2]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.61
FFAR1 O14842 2/20 0.61
CA2 P00918 1/20 0.57
CA1 P00915 2/20 0.55
NFKB1 P19838 1/20 0.48
FFAR4 Q5NUL3 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL994535 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL993331 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL29800406 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL993513 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL993154 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL23391732 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL992521 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL29800307 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL3889006 0.98 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1
SCHEMBL11812812 0.94 GPR84 (0.63) GPR84FFAR1CA2CA1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868902-B1 Hair dye HENKEL KGAA (DE) 2004-05-12 EP claimed
US-6267949-B1 FOR PREVENTING HARMFUL EFFECTS OF SOLAR RADIATION SOLTEC RESEARCH PTY LTD. (AU) 2001-07-31 US claimed
EP-0996412-A4 SUNSCREEN COMPOSITION SOLTEC RES PTY LTD (AU) 2000-09-06 EP claimed
EP-0996412-A1 SUNSCREEN COMPOSITION SOLTEC RESEARCH PTY. LTD. (AU) 2000-05-03 EP claimed
US-6001373-A WATER-IN-OIL OR OIL-IN-WATER EMULSION COMPRISING SILICONE OIL SELECTED FROM VOLATILE AND NON-VOLATILE SILICONES, HUMECTANTS, PIGMENTS THE PROCTER & GAMBLE COMPANY (US) 1999-12-14 US claimed
WO-1998052525-A1 SUNSCREEN COMPOSITION SOLTEC RESEARCH PTY. LTD. (AU) 1998-11-26 WO claimed
EP-0868902-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-07 EP claimed
US-5670478-A CYCLOSPORINS GALENA, A.S. (CZ) 1997-09-23 US claimed
EP-0659084-B1 MEDICAL PREPARATIONS CONTAINING N-METHYLATED CYCLIC UNDECAPEPTIDES GALENA AS (CZ) 1997-03-19 EP claimed
US-5482714-A Water impermeable skin protectant based upon reverse water emulsion HEALTHPOINT MEDICAL LIMITED PARTNERSHIP (US) 1996-01-09 US claimed
WO-1995009598-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-04-13 WO claimed
CN-119677813-A Hydrophobically modified and hydrophilically modified maleated natural oils and compositions thereof 埃斯普投资有限公司 2025-03-21 CN disclosed
CN-118871121-A Antimicrobial natural compositions 生物活性协同有限公司 2024-10-29 CN disclosed
CN-118660702-A Antimicrobial compositions 生物活性协同有限公司 2024-09-17 CN disclosed
CN-116789429-A High-performance gypsum wall, and preparation method, construction method and application thereof 贵州绿安科技发展有限责任公司 2023-09-22 CN disclosed
WO-1994005312-A1 MEDICAL PREPARATIONS CONTAINING N-METHYLATED CYCLIC UNDECAPEPTIDES GALENA, A.S. (CZ) 1994-03-17 WO disclosed
WO-1994005312-A1 MEDICAL PREPARATIONS CONTAINING N-METHYLATED CYCLIC UNDECAPEPTIDES GALENA, A.S. (CZ) 1994-03-17 WO disclosed
US-5179128-A Containing an anionic and nonionic surfactant and an oil substance CHESEBROUGH-POND'S USA CO. (US) 1993-01-12 US disclosed
EP-0486074-A1 Cosmetic composition UNILEVER N.V. (NL) 1992-05-20 EP disclosed
US-5073573-A Thixotropy, complex of magnesium aluminum hydroxide and a carb oxylic acid, lipohlilic liquid GIULINI CHEMIE GMBH (DE) 1991-12-17 US disclosed