SCHEMBL9537138

SCHEMBL9537138

CCC(N)(CC#N)CC#N

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5174277 0.94
Hydrochloric Acid SCHEMBL5475854 0.92 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18602278 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9539930 0.78 MEN1 (0.34) ALDH1A1
Cyanamide SCHEMBL4951615 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10434057 0.74
Water SCHEMBL188611 0.73
Thiocyanic Acid SCHEMBL19511877 0.73 CA1 (0.38) ALDH1A1
SCHEMBL7572872 0.73 LOX (0.33)
SCHEMBL19715266 0.72 TSHR (0.43) ALDH1A1

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-0178106-B1 ENZYMATIC PROCESS NOVO NORDISK A/S (DK) 1993-03-31 EP claimed