SCHEMBL31087239

SCHEMBL31087239

O=C(OCC1CO1)c1cc(Cl)c(Cl)cc1C(=O)OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 3/20 0.40
HTR4 Q13639 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1714031 1.00 DHFR (0.44) DHFRALDH1A1TP53CYP3A4MEN1
SCHEMBL1714947 0.93 DHFR (0.44) DHFRALDH1A1TP53CYP3A4MEN1
SCHEMBL157854 0.89 DHFR (0.48) DHFRALDH1A1TP53CYP3A4MGLL
SCHEMBL1646377 0.84 ALDH1A1 (0.47) DHFRALDH1A1TP53CYP3A4MGLL
SCHEMBL8847085 0.83 ALDH1A1 (0.47) DHFRALDH1A1TP53CYP3A4MEN1
SCHEMBL8847027 0.83 KMT2A (0.59) DHFRALDH1A1MEN1KMT2AMAPK1
SCHEMBL28356017 0.83 DHFR (0.47) DHFRALDH1A1TP53CYP3A4MGLL
SCHEMBL7179948 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4MGLL
SCHEMBL31651033 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4MGLL
SCHEMBL27139529 0.83 DHFR (0.44) DHFRALDH1A1TP53CYP3A4MGLL

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-122095316-A Composition for forming resist underlayer film 2026-05-26 CN disclosed
CN-114746468-B Method for producing polymer 日产化学株式会社 2024-09-13 CN disclosed