SCHEMBL29006335

SCHEMBL29006335

C=CC(=O)OC=O.Nc1nc(N)nc(N)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 4/20 0.30
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL584332 0.82
SCHEMBL11703285 0.79
SCHEMBL28014141 0.79
SCHEMBL27792213 0.79
SCHEMBL27830614 0.79
SCHEMBL27723387 0.79
SCHEMBL27830626 0.79
SCHEMBL27868964 0.79
Acrylic Acid Methyl Ester SCHEMBL27712914 0.77 HCAR2 (0.39) CYP1A2LMNATSHRALDH1A1TP53
SCHEMBL24727896 0.75 LMNA (0.35) CYP1A2LMNATSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116179059-B Transparent photo-curing coating and preparation method thereof 江南大学 2024-07-02 CN disclosed
CN-118184957-A Method for reducing shrinkage stress of photocuring coating by shape memory azobenzene microcapsule 江南大学 2024-06-14 CN disclosed
CN-118185367-A Method for reducing shrinkage stress of near infrared light curing resin by shape memory microcapsule 江南大学 2024-06-14 CN disclosed
CN-116218333-A Photo-curing coating and preparation method thereof 江南大学 2023-06-06 CN disclosed
CN-116179059-A Transparent photo-curing coating and preparation method thereof 江南大学 2023-05-30 CN disclosed