SCHEMBL9129137

SCHEMBL9129137

CC(=O)CC(C)(C)OOC(C)(C)CC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.33
TRPA1 O75762 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL11296511 0.92 GAA (0.34) ALDH1A1TDP1SMN1; SMN2GAA
SCHEMBL296994 0.92 TDP1 (0.40) ALDH1A1TDP1SMN1; SMN2GAAMGAM
SCHEMBL5362124 0.90 ALDH1A1 (0.36) ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL11299518 0.88 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL11299295 0.88 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL11299524 0.86 TSHR (0.35) ALDH1A1TDP1GAAMGAMSI
SCHEMBL11301608 0.86 MEN1 (0.30)
SCHEMBL11300707 0.82 MAPK1 (0.31) ALDH1A1TDP1
SCHEMBL11655752 0.81 MAPK1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL11659830 0.81 MAPK1 (0.43) ALDH1A1TDP1SMN1; SMN2CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed
CN-108273478-A A kind of formaldehyde removing composition and product 李怀玉 2018-07-13 CN disclosed
US-5463047-A Intermediates for the manufacture of 4-acyloxy-3-hydroxyethylazetidinones CIBA-GEIGY CORPORATION (US) 1995-10-31 US disclosed
US-5386029-A Process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1995-01-31 US disclosed
US-5274188-A Process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed
US-5064761-A PROCESS FOR THE MANUFACTURE OF 4-ACYLAMINO-3-HYDROXYBUTYRIC ACID ESTERS CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-4927507-A Novel process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1990-05-22 US disclosed