SCHEMBL29200856

SCHEMBL29200856

CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].CCCC[Sn+2]CCCC.[Bi+3]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

HRH2

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 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.49
CA1 P00915 5/20 0.47
GPR84 Q9NQS5 1/20 0.44
FABP3 P05413 7/20 0.42
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
SCHEMBL1232381 0.98 NFKB1 (0.50) NFKB1CA1GPR84FABP3CA2
Dodecanoate SCHEMBL30771771 0.97 NFKB1 (0.50) NFKB1CA1GPR84FABP3
SCHEMBL9621291 0.97 NFKB1 (0.49) NFKB1CA1GPR84FABP3CA2
SCHEMBL9246784 0.97 NFKB1 (0.49) NFKB1CA1GPR84FABP3CA2
SCHEMBL18261904 0.97 NFKB1 (0.49) NFKB1CA1GPR84FABP3CA2
SCHEMBL9622580 0.92 NFKB1 (0.51) NFKB1CA1GPR84FABP3
SCHEMBL1455620 0.92 NFKB1 (0.51) NFKB1CA1GPR84FABP3
Thioglycolic Acid SCHEMBL28464440 0.86 NFKB1 (0.46) NFKB1CA1GPR84FABP3
Adipic Acid SCHEMBL673756 0.86 CA1 (0.62) NFKB1CA1FABP3
Hexane SCHEMBL28596931 0.84 NFKB1 (0.61) NFKB1CA1GPR84FABP3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115287014-B Water-based acrylate pressure-sensitive adhesive for protective film and preparation method thereof 江苏景宏新材料科技有限公司 2024-01-26 CN disclosed