SCHEMBL30190455

SCHEMBL30190455

CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CCC(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.36
THRA P10827 1/20 0.36
MAPK1 P28482 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 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
SCHEMBL181262 1.00 THRB (0.36) THRBTHRAMAPK1FFAR3HDAC3
Aziridine SCHEMBL11905310 0.94 THRB (0.33) THRBTHRAALDH1A1
SCHEMBL1535860 0.93 THRB (0.35) THRBTHRAMAPK1HRH3ALDH1A1
SCHEMBL18154865 0.93 THRB (0.35) THRBTHRAMAPK1HRH3ALDH1A1
SCHEMBL5532392 0.87 THRB (0.37) THRBTHRAFFAR3HDAC3HDAC1
SCHEMBL30449830 0.87 HRH3 (0.40) HRH3
Propane SCHEMBL1998876 0.87 THRB (0.40) THRBTHRAFFAR3HDAC3HDAC1
SCHEMBL2704549 0.87
SCHEMBL673452 0.86 THRB (0.33) THRBTHRAHRH3ALDH1A1PKM
Ethylene Glycol SCHEMBL672311 0.85 THRB (0.36) THRBTHRAHRH3ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119593-A Multifunctional crosslinking agent: compounds, compositions and products thereof 生物涂层有限公司 2024-05-31 CN claimed
EP-4370498-A1 MULTIFUNCTIONAL CROSSLINKERS: COMPOUNDS, COMPOSITIONS, AND PRODUCTS THEREOF Biocoat, Incorporated (US) 2024-05-22 EP claimed
WO-2023287638-A1 MULTIFUNCTIONAL CROSSLINKERS: COMPOUNDS, COMPOSITIONS, AND PRODUCTS THEREOF BIOCOAT, INCORPORATED (US) 2023-01-19 WO claimed
CN-118119593-A Multifunctional crosslinking agent: compounds, compositions and products thereof 生物涂层有限公司 2024-05-31 CN disclosed
EP-4370498-A1 MULTIFUNCTIONAL CROSSLINKERS: COMPOUNDS, COMPOSITIONS, AND PRODUCTS THEREOF Biocoat, Incorporated (US) 2024-05-22 EP disclosed
WO-2023287638-A1 MULTIFUNCTIONAL CROSSLINKERS: COMPOUNDS, COMPOSITIONS, AND PRODUCTS THEREOF BIOCOAT, INCORPORATED (US) 2023-01-19 WO disclosed