Octanedioate

Octanedioate

SCHEMBL28380635

O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].[Ti+4].[Ti+4]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
FABP3 P05413 9/20 0.52
FFAR3 O14843 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 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
Sebacic Acid SCHEMBL847655 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL28953194 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Adipic Acid SCHEMBL847648 0.96 CA1 (0.58) CA1FABP3FFAR3HDAC3HDAC1
Sebacic Acid SCHEMBL2381516 0.93 FABP3 (0.56) CA1FABP3FFAR3HDAC3HDAC1
Azelaic Acid SCHEMBL1498058 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL11668419 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL11046980 0.93 CA1 (0.63) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL125143 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL160025 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Sebacic Acid SCHEMBL6562957 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032369-B Pneumatic tire 株式会社普利司通 2022-04-15 CN disclosed
CN-111032369-A Pneumatic tire 株式会社普利司通 2020-04-17 CN disclosed