SCHEMBL9502851

SCHEMBL9502851

C=C(C)COP(=O)(OCC)OCC(=C)C.[Ti]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 2/20 0.35
BTN3A1 O00481 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL4821960 0.98 TSHR (0.59) TSHRTP53TDP1PPARDBTN3A1
SCHEMBL418513 0.89 TSHR (0.41) TSHRTDP1BTN3A1CYP3A4
SCHEMBL4820914 0.88 TSHR (0.46) TSHRTP53TDP1PPARDBTN3A1
SCHEMBL17131982 0.80 TSHR (0.59) TSHRTP53TDP1PPARDCYP3A4
SCHEMBL22235265 0.79 BTN3A1 (0.41) TSHRBTN3A1
SCHEMBL4818863 0.77 BTN3A1 (0.35) TSHRBTN3A1CYP3A4ACHE
SCHEMBL27771235 0.77 TSHR (0.62) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL10358522 0.76 TSHR (0.77) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL23045857 0.76 TSHR (0.59) TSHRTP53TDP1PPARDCYP3A4
Triethyl Phosphate SCHEMBL1332591 0.75 TSHR (1.00) TSHRTP53TDP1PPARDCYP3A4

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-0260958-B1 AN ANTIFOULING COATING COMPOSITION Nippon Paint Co., Ltd. (JP) 1993-06-23 EP disclosed
EP-0259096-B1 DISINTEGRATION TYPE, CROSSLINKED ACRYLIC RESIN PARTICLES Nippon Paint Co., Ltd. (JP) 1992-05-06 EP disclosed
US-4835231-A Disintegration type, crosslinked acrylic resin particles NIPPON PAINT CO., LTD. (JP) 1989-05-30 US disclosed
US-4820748-A SOLUTIONS OF FILM FORMING POLYMER CROSSLINKED ACRYLIC RESINS HAVING METAL ESTER BONDS NIPPON PAINT CO., LTD. (JP) 1989-04-11 US disclosed
EP-0260958-A2 An antifouling coating composition Nippon Paint Co., Ltd. (JP) 1988-03-23 EP disclosed
EP-0259096-A1 Disintegration type, crosslinked acrylic resin particles Nippon Paint Co., Ltd. (JP) 1988-03-09 EP disclosed