SCHEMBL19004022

SCHEMBL19004022

C=CCC(C=C)NCCC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
Hydrochloric Acid SCHEMBL22771610 0.79 ABCC3 (0.30)
SCHEMBL22461917 0.77
SCHEMBL6673310 0.77
SCHEMBL14837071 0.76 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL11295210 0.74 ABCC3 (0.34) TSHR
Bromide SCHEMBL28597019 0.74 TSHR (0.32) TSHR
Iodide SCHEMBL14837000 0.74 TSHR (0.32) TSHR
SCHEMBL23558982 0.73
Hydrochloric Acid SCHEMBL22771632 0.73 SIGMAR1 (0.38) TSHR
SCHEMBL17743104 0.73

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-2348125-B1 Method for the synthesis of a bifunctional complex NUEVOLUTION AS (DK) 2017-06-21 EP disclosed