SCHEMBL59615

SCHEMBL59615

C=C(CCCCCCCCCCCCCCCCCCCCCC(C)C#N)CC(C)C#N

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38

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
SCHEMBL2492983 0.90 TSHR (0.41) TSHR
SCHEMBL21218816 0.83 TSHR (0.33) TSHR
SCHEMBL60294 0.81 TSHR (0.45) TSHR
SCHEMBL29617468 0.79 TSHR (0.39) TSHR
SCHEMBL11223701 0.78 TSHR (0.44) TSHR
SCHEMBL10959155 0.77 TSHR (0.40) TSHR
SCHEMBL28992501 0.77 TSHR (0.57) TSHR
SCHEMBL3630677 0.77 TSHR (0.57) TSHR
SCHEMBL3629254 0.74 TSHR (0.60) TSHR
SCHEMBL11146687 0.74 TSHR (0.42) TSHR

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-8128808-B2 Process for hydrodesulfurization, hydrodenitrogenation, hydrofinishing, or amine production H R D CORPORATION (US) 2012-03-06 US disclosed
US-20100294699-A1 PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION H R D CORPORATION (US) 2010-11-25 US disclosed