SCHEMBL9775766

SCHEMBL9775766

COC(CN(C)C(=O)CBr)OC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL11630164 0.82 TRPA1 (0.35) TRPA1ALDH1A1
SCHEMBL12969435 0.81 RXFP1 (0.33) RXFP1
SCHEMBL1550865 0.79 ALDH1A1 (0.42) ALDH1A1RXFP1
SCHEMBL28554513 0.79 AOC3 (0.33) RXFP1
SCHEMBL30154420 0.76 MCL1 (0.33) ALDH1A1
SCHEMBL9775815 0.76 MEN1 (0.31) ALDH1A1
SCHEMBL19813049 0.76 RXFP1 (0.35) RXFP1
SCHEMBL4439007 0.76 CHRM1 (0.37) RXFP1
SCHEMBL10564226 0.74 CHRNB2 (0.35) RXFP1
SCHEMBL11006249 0.71 RXFP1 (0.30) RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983748-A Chemical intermediates for polysaccharide aldehydes; wet strength paper additive NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-01-08 US disclosed
US-4804769-A PAPER ADDITIVES NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-02-14 US disclosed
EP-0175113-B1 POLYSACCHARIDE DERIVATIVES CONTAINING ALDEHYDE GROUPS, THEIR PREPARATION FROM THE CORRESPONDING ACETALS AND USE AS PAPER ADDITIVES National Starch and Chemical Corporation (US) 1988-10-12 EP disclosed
US-4741804-A Polysaccharide derivatives containing aldehyde groups, their preparation from the corresponding acetals and use as paper additives NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-05-03 US disclosed
US-4731162-A Polysaccharide derivatives containing aldehyde groups for use as paper additives NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-03-15 US disclosed
US-4703116-A WET STRENGTH, DRY STRENGTH NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1987-10-27 US disclosed
EP-0232851-A2 Polysaccaride derivatives containing aldehyde groups, corresponding acetals and use as paper additives National Starch and Chemical Investment Holding Corporation (US) 1987-08-19 EP disclosed
US-4675394-A Polysaccharide derivatives containing aldehyde groups, their preparation from the corresponding acetals and use as paper additives NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1987-06-23 US disclosed
EP-0175113-A2 Polysaccharide derivatives containing aldehyde groups, their preparation from the corresponding acetals and use as paper additives National Starch and Chemical Corporation (US) 1986-03-26 EP disclosed