SCHEMBL6913832

SCHEMBL6913832

CC1(C(=O)[O-])CCCC1.CC1(C(=O)[O-])CCCC1.CC1(C(=O)[O-])CCCC1.[In+3]

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CETP P11597 2/20 0.32
P2RX7 Q99572 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL6916823 0.97 ALDH1A1 (0.41) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
Potassium Ion SCHEMBL28553428 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6909661 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6917470 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6917018 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6908124 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6908411 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6909649 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
Zinc Ion SCHEMBL6909438 0.94 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7
SCHEMBL6914415 0.92 ALDH1A1 (0.41) FFAR3ALDH1A1SMN1; SMN2CETPP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed