SCHEMBL288412

SCHEMBL288412

C=C(C)C(=O)NC(C)(C)COP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPI1 P60174 1/20 0.33
BTN3A1 O00481 1/20 0.33
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
PGD P52209 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TGFBR1 P36897 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
SCHEMBL41615 0.78 TGFBR1 (0.32) TGFBR1
SCHEMBL288533 0.77 ALDH1A1 (0.44) TPI1S1PR4S1PR1S1PR3S1PR5
SCHEMBL9805999 0.77 EPHX1 (0.40) ALDH1A1TGFBR1
SCHEMBL16805856 0.76 ALDH1A1 (0.38) ALDH1A1TGFBR1
SCHEMBL5059015 0.75 GRM4 (0.42) BTN3A1ALDH1A1TGFBR1
Dimethylamine SCHEMBL27577795 0.73 EPHX1 (0.38) ALDH1A1TGFBR1
SCHEMBL3363168 0.73 TGFBR1 (0.34) ALDH1A1TGFBR1
SCHEMBL7611640 0.72 TGFBR1 (0.39) ALDH1A1TGFBR1
SCHEMBL21612680 0.72 TGFBR1 (0.35) ALDH1A1TGFBR1
Phosphoric Acid SCHEMBL28475948 0.72 EPHX1 (0.35) ALDH1A1TGFBR1

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-106893040-B Aqueous multistage emulsion copolymer composition for joint applications 罗门哈斯公司 2020-11-10 CN disclosed
US-8680203-B2 Process for producing a particulate nanocomposite material BASF SE (DE) 2014-03-25 US disclosed
EP-2427466-A1 PROCESS FOR PRODUCING A PARTICULATE NANOCOMPOSITE MATERIAL BASF SE (DE) 2012-03-14 EP disclosed
US-20120052300-A1 PROCESS FOR PRODUCING A PARTICULATE NANOCOMPOSITE MATERIAL BASF SE (DE) 2012-03-01 US disclosed
WO-2010128144-A1 PROCESS FOR PRODUCING A PARTICULATE NANOCOMPOSITE MATERIAL BASF SE (DE) 2010-11-11 WO disclosed
CN-1102427-A Process for controlling adsorption of polymeric latex on titanium dioxide ROHM & HAAS (US) 1995-05-10 CN disclosed