SCHEMBL17707282

SCHEMBL17707282

C=C(C)P(=O)(OCCC)OCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LPAR3 Q9UBY5 4/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
BTN3A1 O00481 1/20 0.35
TSHR P16473 4/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL11322703 0.87 TSHR (0.32) MEN1KMT2AALDH1A1LPAR3LPAR2
SCHEMBL14390538 0.86 CYP3A4 (0.54) CYP3A4ALDH1A1LPAR3LPAR1LPAR2
SCHEMBL10395318 0.83 MEN1 (0.38) MEN1KMT2ACYP3A4ALDH1A1LPAR3
SCHEMBL27480779 0.80 TSHR (0.37) MEN1KMT2ACYP3A4ALDH1A1LPAR3
SCHEMBL12731355 0.80 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL10945018 0.79 ALDH1A1 (0.48) ALDH1A1BTN3A1
SCHEMBL2983513 0.78 ALDH1A1 (0.40) MEN1KMT2ACYP3A4ALDH1A1LPAR3
SCHEMBL10395211 0.77 CA12 (0.42) MEN1KMT2ACYP3A4ALDH1A1LPAR3
SCHEMBL10395235 0.77 CA12 (0.42) MEN1KMT2ACYP3A4ALDH1A1LPAR3
SCHEMBL10395371 0.76 CYP3A4 (0.52) CYP3A4ALDH1A1LPAR3LPAR1LPAR2

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
EP-3215481-B1 METHOD FOR PRODUCING BIPHENYLAMINES FROM AZOBENZOLES BY RUTHENIUM CATALYSIS BAYER CROPSCIENCE AG (DE) 2018-12-26 EP disclosed
EP-3015495-B1 FLAME RESISTANT COMPOSITES LUXEMBOURG INSTITUTE OF SCIENCE AND TECH (LU) 2018-08-08 EP disclosed
EP-3215481-A1 METHOD FOR PRODUCING BIPHENYLAMINES FROM AZOBENZOLES BY RUTHENIUM CATALYSIS Bayer CropScience Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071249-A1 METHOD FOR PRODUCING BIPHENYLAMINES FROM AZOBENZOLES BY RUTHENIUM CATALYSIS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
EP-3015495-A1 FLAME RESISTANT COMPOSITES Centre de Recherche Public Henri Tudor (LU) 2016-05-04 EP disclosed
EP-3015452-A1 Method for the production of biphenylamines from azobenzenes using ruthenium catalysis Bayer CropScience AG (DE) 2016-05-04 EP disclosed