SCHEMBL28970845

SCHEMBL28970845

CC(=COCCO)C(=O)OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MGLL Q99685 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL28972581 0.87 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28534705 0.86 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLLSMN1; SMN2
SCHEMBL28268341 0.85 LMNA (0.47) ALDH1A1MGLL
SCHEMBL28269829 0.82 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28018577 0.82 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4SMN1; SMN2TSHR
SCHEMBL332328 0.81 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL7588647 0.80 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4
SCHEMBL11473802 0.79 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4SMN1; SMN2TSHR
SCHEMBL4416081 0.79 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL147020 0.79 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL

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-115677958-B Etherified amino resin esterified substance with ultraviolet curing characteristic and preparation method thereof 重庆市化工研究院有限公司 2024-08-02 CN disclosed
CN-115677958-A Etherified amino resin esterified substance with ultraviolet curing characteristic and preparation method thereof 重庆市化工研究院有限公司 2023-02-03 CN disclosed