SCHEMBL15313190

SCHEMBL15313190

C=C(C)C(=O)N(CC)CC.C=C(C)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21608 0.85 LMNA (0.40) ALDH1A1TSHRTHRBLMNAMEN1
N,N-Dimethylethanaminium SCHEMBL6741416 0.81 ALDH1A1 (0.68) ALDH1A1TSHRTHRBMEN1KMT2A
Acetic Acid SCHEMBL27406507 0.81 LMNA (0.37) ALDH1A1THRBLMNAMEN1KMT2A
Propane SCHEMBL23527365 0.80 ALDH1A1 (0.83) ALDH1A1TSHRTHRBLMNAHSD17B10
Propane SCHEMBL6470806 0.80 ALDH1A1 (0.83) ALDH1A1TSHRTHRBLMNAHSD17B10
Hydrochloric Acid SCHEMBL28131958 0.80
Hydrochloric Acid SCHEMBL1950491 0.80
SCHEMBL10661715 0.79 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
Butane SCHEMBL7941631 0.78 ALDH1A1 (0.79) ALDH1A1TSHRTHRBLMNAHSD17B10
Trimethylammonium SCHEMBL3889509 0.78 ALDH1A1 (0.79) ALDH1A1TSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657293-B1 WATER-ABSORBABLE RESIN COMPOSITION AND LAMINATE PRODUCED USING SAME DAICEL ALLNEX LTD (JP) 2019-03-27 EP disclosed
US-9084982-B2 Water-absorbing resin composition and laminate produced using same DAICEL-ALLNEX LTD. (JP) 2015-07-21 US disclosed
EP-2657293-A1 WATER-ABSORBABLE RESIN COMPOSITION AND LAMINATE PRODUCED USING SAME Daicel-Cytec Company, Ltd. (JP) 2013-10-30 EP disclosed
US-20130274405-A1 WATER-ABSORBING RESIN COMPOSITION AND LAMINATE PRODUCED USING SAME DAICEL FINECHEM LTD. (JP) 2013-10-17 US disclosed