SCHEMBL310571

SCHEMBL310571

COc1cc(Oc2cc(N)cc(Oc3ccc(N)c(OC)c3)c2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 2/20 0.63
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
NR4A1 P22736 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL29764054 1.00 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30368 0.94 ALDH1A1 (0.70) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29764021 0.94 ALDH1A1 (0.70) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL272888 0.90 ALDH1A1 (0.76) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL12594105 0.87 ALDH1A1 (0.66) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31457280 0.87 ALDH1A1 (0.66) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL9517940 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL5312459 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL5583756 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30218210 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11705555-B2 Electrolyte materials for use in electrochemical cells SION POWER CORPORATION (US) 2023-07-18 US disclosed
US-20230027931-A1 THERMOPLASTIC MOULDING COMPOSITION CONTAINING POLYALKYLENE TEREPHTHALATE BASF SE (DE) 2023-01-26 US disclosed
EP-4077539-A1 THERMOPLASTIC MOULDING COMPOSITION CONTAINING POLYALKYLENE TEREPHTHALATE BASF SE (DE) 2022-10-26 EP disclosed
WO-2021122715-A1 THERMOPLASTIC MOULDING COMPOSITION CONTAINING POLYALKYLENE TEREPHTHALATE BASF SE (DE) 2021-06-24 WO disclosed
US-20180006303-A1 ELECTROLYTE MATERIALS FOR USE IN ELECTROCHEMICAL CELLS SION POWER CORPORATION (US) 2018-01-04 US disclosed
US-9853287-B2 Electrolyte materials for use in electrochemical cells SION POWER CORPORATION (US) 2017-12-26 US disclosed
EP-2714806-B1 THERMOPLASTIC MOULDING MATERIAL BASF SE (DE) 2015-07-08 EP disclosed
US-8987357-B2 Thermoplastic molding composition BASF SE (DE) 2015-03-24 US disclosed
EP-2710651-A1 ELECTROCHEMICAL CELLS COMPRISING POLYIMIDES BASF SE (DE) 2014-03-26 EP disclosed
US-20140045070-A1 ELECTROCHEMICAL CELLS COMPRISING POLYIMIDES BASF SE (DE) 2014-02-13 US disclosed
WO-2012163680-A1 THERMOPLASTIC MOLDING COMPOUND BASF SE (DE) 2012-12-06 WO disclosed
US-20120302677-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2012-11-29 US disclosed
WO-2012156903-A1 ELECTROCHEMICAL CELLS COMPRISING POLYIMIDES BASF SE (DE) 2012-11-22 WO disclosed
US-20120052397-A1 ELECTROLYTE MATERIALS FOR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2012-03-01 US disclosed
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed