SCHEMBL19338134

SCHEMBL19338134

CC(C#N)/C=C(\CC#N)CCC#N

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

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
SCHEMBL19338132 0.86 TSHR (0.31) TSHR
SCHEMBL10957696 0.71 TSHR (0.35) TSHR
SCHEMBL11057155 0.71 TSHR (0.35) TSHR
SCHEMBL28269088 0.62
Hydrochloric Acid SCHEMBL8466991 0.60 TSHR (0.32) TSHR
Isopropyl Alcohol SCHEMBL28273188 0.60 GABRP (0.39) TSHR
SCHEMBL24721558 0.58 ALDH1A1 (0.42)
SCHEMBL60530 0.57 TSHR (0.33) TSHR
SCHEMBL28330063 0.57
SCHEMBL16751772 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216781-A1 MIXTURES CONTAINING POTASSIUM SALTS OF METHYL GLYCINE DIACETIC ACID BASF SE (DE) 2017-09-13 EP disclosed