Butyrolactone

Butyrolactone

SCHEMBL28503593

C=C(CCC)C(=O)O.O=C1CCCO1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 2/20 0.31

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
SCHEMBL15161800 0.95 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL15161868 0.94 CA1 (0.48) CA1CA9
SCHEMBL3258641 0.85 CA1 (0.46) CA1CA9ALDH1A1
Butyrolactone SCHEMBL28100197 0.81 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL18130362 0.79 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
Methacrylic Acid SCHEMBL212354 0.79 CA1 (0.52) CA1CA9ALDH1A1LMNATP53
Butyric Acid SCHEMBL28420811 0.78 CA1 (0.57) CA1CA9ALDH1A1LMNATP53
SCHEMBL642793 0.78 CA1 (0.44) CA1CA9ATM
SCHEMBL31346638 0.78 CA1 (0.44) CA1CA9ALDH1A1
SCHEMBL3959055 0.77 CA1 (0.47) CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112175133-B Acrylic resin and preparation method and application thereof 宁波南大光电材料有限公司 2022-08-19 CN claimed
CN-112175133-B Acrylic resin and preparation method and application thereof 宁波南大光电材料有限公司 2022-08-19 CN disclosed
CN-112175133-A Acrylic resin and preparation method and application thereof 宁波南大光电材料有限公司 2021-01-05 CN disclosed