SCHEMBL4758987

SCHEMBL4758987

CC(C)(C)OCOP(C)(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 6/20 0.43
ALDH1A1 P00352 1/20 0.42
ENO1 P06733 2/20 0.39
PRKCA P17252 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ABCB11 O95342 1/20 0.31
POLA1 P09884 1/20 0.31
POLG P54098 1/20 0.31
FAP Q12884 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL9891063 0.91 BTN3A1 (0.49) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL13685840 0.80 BTN3A1 (0.41) BTN3A1ALDH1A1ENO1PRKCA
SCHEMBL17036739 0.79 BTN3A1 (0.50) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL18309146 0.78 BTN3A1 (0.40) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL10128755 0.77 BTN3A1 (0.47) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL18309164 0.77 BTN3A1 (0.47) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL10378800 0.77 BTN3A1 (0.50) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL19700208 0.75 TSHR (0.39)
SCHEMBL10378801 0.75 BTN3A1 (0.49) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL28720185 0.75 BTN3A1 (0.53) BTN3A1ALDH1A1ENO1PRKCAFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168760-A1 PHOSPHONATE POLYMERS, COPOLYMERS, AND THEIR RESPECTIVE OLIGOMERS AS FLAME RETARDANTS FOR POLYESTER FIBERS FRX POLYMERS, INC. 2016-06-16 US disclosed
US-9290653-B2 Phosphonate polymers, copolymers, and their respective oligomers as flame retardants for polyester fibers FRX POLYMERS, INC. (US) 2016-03-22 US disclosed
US-20140308505-A1 PHOSPHONATE POLYMERS, COPOLYMERS, AND THEIR RESPECTIVE OLIGOMERS AS FLAME RETARDANTS FOR POLYAMIDE FIBERS SCHMITT THOMAS EDWARD (US) 2014-10-16 US disclosed
US-20120121843-A1 PHOSPHONATE POLYMERS, COPOLYMERS, AND THEIR RESPECTIVE OLIGOMERS AS FLAME RETARDANTS FOR POLYESTER FIBERS FRX POLYMERS, INC. (US) 2012-05-17 US disclosed