SCHEMBL2678684

SCHEMBL2678684

CC(C)CCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCC(=O)[O-].[Rh+3]

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.62
▸ NFKB1 P19838 1/20 0.47
▸ KDM4C Q9H3R0 2/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ PHF8 Q9UPP1 1/20 0.46
▸ KDM2A Q9Y2K7 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.46
▸ BBOX1 O75936 2/20 0.45
▸ FABP3 P05413 5/20 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
SCHEMBL17472914 1.00 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
SCHEMBL15416497 1.00 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
SCHEMBL28387402 0.98 CA1 (0.65) CA1NFKB1KDM4CKDM4APHF8
SCHEMBL10815605 0.95 CA1 (0.67) CA1NFKB1KDM4CKDM4APHF8
SCHEMBL9172170 0.95 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
Potassium Ion SCHEMBL25191979 0.95 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
Zinc Ion SCHEMBL3364891 0.95 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
SCHEMBL20894203 0.95 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
Potassium Ion SCHEMBL5277730 0.95 CA1 (0.62) CA1NFKB1KDM4CKDM4APHF8
SCHEMBL10406238 0.95 CA1 (0.67) CA1NFKB1KDM4CKDM4APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217555-B1 METHOD FOR THE PRODUCTION OF ALDEHYDES OXEA GMBH (DE) 2015-09-09 — — EP disclosed
US-8173847-B2 Method for the production of aldehydes OXEA GMBH (DE) 2012-05-08 — — US disclosed
US-20100256422-A1 METHOD FOR THE PRODUCTION OF ALDEHYDES OQ CHEMICALS GMBH (DE) 2010-10-07 — — US disclosed
EP-2217555-A1 METHOD FOR THE PRODUCTION OF ALDEHYDES OXEA Deutschland GmbH (DE) 2010-08-18 — — EP disclosed
WO-2009059713-A1 METHOD FOR THE PRODUCTION OF ALDEHYDES OXEA DEUTSCHLAND GMBH (DE) 2009-05-14 — — WO disclosed
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