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Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL9316374

C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=CC=C

nearest known ligand 0.45

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.45
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
Benzene SCHEMBL8710740 0.95 THRB (0.41) THRBTSHRALDH1A1TP53CYP3A4
Propene SCHEMBL28137471 0.93 THRB (0.45) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL23636 0.92 THRB (0.48) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL28149678 0.92 THRB (0.48) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL10391726 0.90 THRB (0.47) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL5884750 0.90 THRB (0.47) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL28120744 0.90 THRB (0.47) THRBTSHRALDH1A1TP53CYP3A4
Propane SCHEMBL28078056 0.90 THRB (0.47) THRBTSHRALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL2692828 0.89 THRB (0.46) THRBTSHRALDH1A1TP53CYP3A4
Alcohol SCHEMBL9220453 0.89 THRB (0.46) THRBTSHRALDH1A1TP53CYP3A4

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
US-5300571-A Hardenable composition based on a Michael addition product, process for its preparation and its use BASF LACKE+FARBEN AKTIENGESELLSCHAFT (DE) 1994-04-05 — — US disclosed