SCHEMBL9775704

SCHEMBL9775704

CC(C#N)NC(C#N)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
DPP4 P27487 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
SCHEMBL27280425 0.73
SCHEMBL25709616 0.73
SCHEMBL297923 0.73
SCHEMBL6441976 0.71
SCHEMBL76285 0.71
SCHEMBL11141709 0.69
SCHEMBL23836140 0.65
SCHEMBL4870362 0.65 TSHR (0.33) TSHR
SCHEMBL23836178 0.65 TSHR (0.33) TSHRDPP4
SCHEMBL10907819 0.65

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
US-5077426-A PREPARATION OF ALPHA-FORMYLAMINO NITRILES BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed