SCHEMBL2530005

SCHEMBL2530005

C[Si](C)(CCCc1ccccc1OC#N)O[Si](C)(C)CCCc1ccccc1OC#N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
MPO P05164 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
AOC3 Q16853 1/20 0.30
ADRB2 P07550 4/20 0.30
ADRB1 P08588 4/20 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
SCHEMBL7914933 0.82 TAAR1 (0.40) TAAR1MPOMTNR1AMTNR1BCYP11B1
SCHEMBL7916831 0.81 TAAR1 (0.32) TAAR1MPO
SCHEMBL15215220 0.81 TAAR1 (0.53) TAAR1MPOMTNR1AMTNR1BSIGMAR1
SCHEMBL18406688 0.80 TAS1R3 (0.41) TAAR1ADRB2ADRB1
SCHEMBL7913941 0.79 THRA (0.32) TAAR1MPOMTNR1AMTNR1BTHRA
SCHEMBL27716415 0.79 THRA (0.43) TAAR1THRATHRB
SCHEMBL27668716 0.78 HTR1A (0.42) TAAR1CYP11B1CYP11B2SIGMAR1AOC3
SCHEMBL29038956 0.76 THRA (0.51) THRATHRB
SCHEMBL8848687 0.76 THRA (0.51) THRATHRB
SCHEMBL12713578 0.76 TAAR1 (0.47) TAAR1MPOMTNR1AMTNR1BSIGMAR1

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
US-8039572-B2 Shape memory cyanate ester copolymers CORNERSTONE RESEARCH GROUP, INC. (US) 2011-10-18 US disclosed
US-20080021188-A1 Shape Memory Cyanate Ester Copolymers CORNERSTONE RESEARCH GROUP, INC. 2008-01-24 US disclosed
WO-2005108448-A1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2005-11-17 WO disclosed
US-5326893-A Curable to heat stable, moisture resistant polymer THE DOW CHEMICAL COMPANY (US) 1994-07-05 US disclosed
US-5300591-A Adhesives, coatings, lamination, composites, encapsulation, filament winding and molding materials; improved heat resistance, dielectrics and stress relieving; cured polyisocyanurates THE DOW CHEMICAL COMPANY (US) 1994-04-05 US disclosed
US-5260398-A Aromatic cyanate-siloxane THE DOW CHEMICAL COMPANY (US) 1993-11-09 US disclosed