Sugi Predict

Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL28829640

C=CC=C.CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Nd+3]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 9/20 0.42
▸ BBOX1 O75936 4/20 0.40
▸ CA1 P00915 1/20 0.38
▸ FFAR3 O14843 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL57268 0.90 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL8642391 0.90 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL3215599 0.90 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL1121644 0.88 CA1 (0.46) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL887075 0.88 CA1 (0.46) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL3930736 0.88 CA1 (0.46) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL23174700 0.86 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL10825634 0.86 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL1364995 0.86 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3
SCHEMBL22439765 0.86 CA1 (0.44) FABP3BBOX1CA1FFAR3HDAC3

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-114981316-A Process for producing branched polydienes 公共型股份公司希布尔控股 2022-08-30 — — CN disclosed
CN-114846031-A Branched polydienes, rubber compositions based thereon 公共型股份公司希布尔控股 2022-08-02 — — CN disclosed