SCHEMBL3626858

SCHEMBL3626858

[O-][n+]1c(CBr)cccc1CBr

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11815855 0.66 ATM (0.34) TRPA1ALDH1A1TSHR
SCHEMBL21877865 0.65 PRDX1 (0.43) TRPA1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10764692 0.60 TRPA1 (0.33) TRPA1ALDH1A1TSHR
SCHEMBL3674028 0.56
SCHEMBL19922200 0.55
SCHEMBL2213709 0.55 ALDH1A1 (0.61) TRPA1ALDH1A1TSHR
SCHEMBL348159 0.55 ALDH1A1 (0.61) TRPA1ALDH1A1TSHR
SCHEMBL4438716 0.55 GABRA1 (0.39) TRPA1ALDH1A1TSHR
SCHEMBL338177 0.53 GABRA1 (0.38) TRPA1ALDH1A1TSHR
SCHEMBL173876 0.53 ALDH1A1 (0.36) TRPA1ALDH1A1TSHR

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
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP claimed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US claimed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US claimed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed