SCHEMBL28080528

SCHEMBL28080528

C=C(C)C(=O)OP(=O)(O)OCCCO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 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
SCHEMBL29176806 0.95 TSHR (0.39) BTN3A1TSHRALDH1A1THRBLPAR3
SCHEMBL1300485 0.89 BTN3A1 (0.41) BTN3A1TSHRALDH1A1THRB
SCHEMBL27881679 0.86 TSHR (0.47) BTN3A1TSHRALDH1A1THRBLPAR3
SCHEMBL28325465 0.85 TSHR (0.54) BTN3A1TSHRLPAR3LPAR1LPAR2
SCHEMBL25430754 0.83 TSHR (0.57) TSHRLPAR3LPAR1LPAR2
SCHEMBL14992893 0.83 TSHR (0.57) TSHRLPAR3LPAR1LPAR2
SCHEMBL27813919 0.83 TSHR (0.57) TSHRLPAR3LPAR1LPAR2
SCHEMBL27834064 0.83 TSHR (0.57) TSHRLPAR3LPAR1LPAR2
SCHEMBL28144238 0.83 THRB (0.39) BTN3A1TSHRALDH1A1THRB
SCHEMBL27785449 0.83 TSHR (0.57) TSHRLPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105713150-A Method for preparing sulfate-resistant polycarboxylate water-reducing agents and application thereof 江苏苏博特新材料股份有限公司 2016-06-29 CN claimed
WO-2025045920-A1 COMPOSITION FOR USE AS A DENTAL ADHESIVE OR FOR USE AS A COMPONENT OF A MULTI-COMPONENT DENTAL ADHESIVE, AS WELL AS PREPARATION METHOD AND APPLICATIONS VOCO GMBH (DE) 2025-03-06 WO disclosed
CN-105713150-B A kind of preparation method and applications of the polycarboxylate water-reducer of resistance to sulfate 江苏苏博特新材料股份有限公司 2018-06-26 CN disclosed
CN-106008784-A Concrete viscosity reducer and preparation method thereof 中建商品混凝土眉山新材料有限公司 2016-10-12 CN disclosed
CN-105713150-A Method for preparing sulfate-resistant polycarboxylate water-reducing agents and application thereof 江苏苏博特新材料股份有限公司 2016-06-29 CN disclosed