SCHEMBL6524287

SCHEMBL6524287

O=[N+]([O-])C1[CH]CC([N+](=O)[O-])[CH]C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GSR P00390 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
SCHEMBL7801414 0.97
SCHEMBL6519580 0.75
SCHEMBL3681220 0.71
SCHEMBL28867312 0.65 GSR (0.38) GSR
SCHEMBL3680613 0.65
SCHEMBL651428 0.59 MEN1 (0.75) ALDH1A1TSHRTDP1
SCHEMBL251470 0.57
SCHEMBL5376291 0.57 TSHR (0.33) ALDH1A1TSHRGSR
SCHEMBL1476442 0.55 MEN1 (0.67) ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL30978214 0.55 MEN1 (0.67) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed