SCHEMBL535453

SCHEMBL535453

CCCCc1[nH]cc[n+]1C.OP(O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL107551 0.94 HRH3 (0.34) HRH3
SCHEMBL535081 0.93 HRH3 (0.30) HRH3
Iodide SCHEMBL247931 0.92 HRH3 (0.33) HRH3
Bromide SCHEMBL193081 0.92 HRH3 (0.33) HRH3
SCHEMBL8003081 0.92 HRH3 (0.33) HRH3
Water SCHEMBL1176980 0.92 HRH3 (0.33) HRH3
Hydrochloric Acid SCHEMBL193045 0.92 HRH3 (0.33) HRH3
Fluoride Ion SCHEMBL5046809 0.92 HRH3 (0.33) HRH3
Hydrochloric Acid SCHEMBL2831078 0.91 HRH3 (0.32) HRH3
Hydrochloric Acid SCHEMBL1782212 0.91 HRH3 (0.32) HRH3

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
EP-2414476-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. du Pont de Nemours and Company (US) 2012-02-08 EP disclosed
WO-2010117836-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-14 WO disclosed