SCHEMBL8422176

SCHEMBL8422176

C=CC(=O)OCC(O)CN

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
Trimethylammonium SCHEMBL28204648 0.91 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
Methacrylic Acid SCHEMBL28289588 0.88 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL95157 0.87 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL5696150 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL115220 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16002532 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27598270 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1723604 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL347559 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL203723 0.81 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4

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
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US claimed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP claimed
CN-111303341-A Amino acrylate type polymer ceramic debonder and preparation method thereof 肇庆市欧陶新型材料有限公司 2020-06-19 CN disclosed
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US disclosed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP disclosed
US-3976824-A Treating agent useful for fibrous materials and preparation thereof ARAKAWA RINSAN KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-08-24 US disclosed