SCHEMBL7639334

SCHEMBL7639334

CC(C)C(O)C(C)(C)COC(=O)/C=C\C(=O)OCC(C)(C)C(O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.35
ATM Q13315 1/20 0.35
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL9266203 0.93 HCAR2 (0.47) HCAR2ATMTRPA1TSHR
SCHEMBL17197923 0.87 LMNA (0.35) TRPA1
SCHEMBL9406740 0.85 TSHR (0.48) TRPA1TSHR
SCHEMBL15412274 0.82 TRPA1 (0.37) TRPA1TSHR
SCHEMBL1665854 0.80 TRPA1 (0.40) TRPA1
SCHEMBL783208 0.80 TRPA1 (0.36) TRPA1TSHR
SCHEMBL56321 0.80 TRPA1 (0.36) TRPA1
SCHEMBL9559657 0.77 TRPA1 (0.34) TRPA1
SCHEMBL28094111 0.77 NAAA (0.34) TRPA1TSHR
Isobutyraldehyde SCHEMBL10428140 0.77 TRPA1 (0.32) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020113336-A1 Wet spinning a spin mix of cellulose and particles of refractory material to form a regenerated cellulose with particles dispersed therein, heating to remove regenerated cellulose and sintering the remaining portion CASS RICHARD B (US) 2002-08-22 US disclosed
US-6395080-B1 REFRACTORY FIBERS OF REGENERATED CELLULOSE WITH REFRACTORY PARTICLES FINDLAY INVESTORS GROUP, LLC 2002-05-28 US disclosed
US-5827797-A HEATING, SPINNING DISPERSION OF PARTICLES OF REFRACTORY MATERIAL, CELLULOSE XANTHATE, SINTERING FINDLAY INVESTORS GROUP, LLC 1998-10-27 US disclosed
WO-1995022576-A1 ADHESION SYSTEM BEAVER MANUFACTURING COMPANY, INC. (US) 1995-08-24 WO disclosed
US-3959103-A Photocuring of unsaturated polyester/polythiol compositions W. R. GRACE & CO. (US) 1976-05-25 US disclosed