SCHEMBL9246784

SCHEMBL9246784

CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.49
GPR84 Q9NQS5 1/20 0.47
CA1 P00915 4/20 0.47
FABP3 P05413 7/20 0.46
CA2 P00918 2/20 0.42

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
SCHEMBL18261904 1.00 NFKB1 (0.49) NFKB1GPR84CA1FABP3CA2
SCHEMBL9621291 1.00 NFKB1 (0.49) NFKB1GPR84CA1FABP3CA2
SCHEMBL1232381 0.98 NFKB1 (0.50) NFKB1GPR84CA1FABP3CA2
Dodecanoate SCHEMBL30771771 0.97 NFKB1 (0.50) NFKB1GPR84CA1FABP3
SCHEMBL29200856 0.97 NFKB1 (0.49) NFKB1GPR84CA1FABP3CA2
SCHEMBL9622580 0.95 NFKB1 (0.51) NFKB1GPR84CA1FABP3
SCHEMBL1455620 0.95 NFKB1 (0.51) NFKB1GPR84CA1FABP3
Thioglycolic Acid SCHEMBL28464440 0.90 NFKB1 (0.46) NFKB1GPR84CA1FABP3
Azelaic Acid SCHEMBL4377214 0.88 CA1 (0.60) CA1FABP3
Sebacic Acid SCHEMBL8648840 0.88 CA1 (0.60) CA1FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237485-B1 Stabilized compositions of rigid PVC CIBA GEIGY AG (CH) 1995-01-18 EP claimed
EP-0237485-A2 Stabilized compositions of rigid PVC CIBA-GEIGY AG (CH) 1987-09-16 EP claimed
EP-0237485-B1 Stabilized compositions of rigid PVC CIBA GEIGY AG (CH) 1995-01-18 EP disclosed
EP-0237485-A2 Stabilized compositions of rigid PVC CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed