SCHEMBL11338489

SCHEMBL11338489

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL11338491 1.00 TSHR (0.33) TSHR
SCHEMBL9575752 0.68 TSHR (0.33) TSHR
SCHEMBL305565 0.64
SCHEMBL12050688 0.64
SCHEMBL4094042 0.64
SCHEMBL8613890 0.63 TSHR (0.36) TSHR
SCHEMBL8534653 0.63 NAALAD2 (0.43) TSHR
SCHEMBL59453 0.63
SCHEMBL59454 0.63
SCHEMBL30705403 0.62

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-4302604-A BY STARTING AT A REDUCED PRESSURE AND INCREASING PRESSURE DURING HYDROGENATION PHILLIPS PETROLEUM COMPANY (US) 1981-11-24 US claimed
US-4302604-A BY STARTING AT A REDUCED PRESSURE AND INCREASING PRESSURE DURING HYDROGENATION PHILLIPS PETROLEUM COMPANY (US) 1981-11-24 US disclosed