SCHEMBL11227273

SCHEMBL11227273

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
SCHEMBL11227269 1.00 TSHR (0.30) TSHR
SCHEMBL28269088 0.74
SCHEMBL17313686 0.67
SCHEMBL17313687 0.67
SCHEMBL1543776 0.65 PTGS1 (0.30)
SCHEMBL60530 0.64 TSHR (0.33) TSHR
SCHEMBL1870233 0.64 TDP1 (0.35)
SCHEMBL10584368 0.64 TDP1 (0.35)
SCHEMBL60531 0.64 TSHR (0.33) TSHR
SCHEMBL7590984 0.64

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-4331562-A IN THE PRESENCE OF A PALLADIUM OR RUTHENIUM CATALYST PHILLIPS PETROLEUM COMPANY (US) 1982-05-25 US disclosed
US-4261927-A PLLADIUM OR RUTHENIUM CATALYST, METAL NITRATE PROMOTER PHILLIPS PETROLEUM COMPANY (US) 1981-04-14 US disclosed