SCHEMBL11218892

SCHEMBL11218892

C=C(C)C(=O)N(C)CN(C)CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5133111 0.86 ALDH1A1 (0.46) ALDH1A1
SCHEMBL508642 0.77 ALDH1A1 (0.52) ALDH1A1
SCHEMBL9814670 0.73 TDP1 (0.36) ALDH1A1
SCHEMBL7799594 0.72 ALDH1A1 (0.43) ALDH1A1
SCHEMBL5141056 0.72 ALDH1A1 (0.51) ALDH1A1
SCHEMBL15178422 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1499250 0.70
SCHEMBL30532510 0.70
SCHEMBL27770740 0.70 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6567358 0.69 ALDH1A1 (0.44) 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-0085330-A1 Sizing agent and its use BAYER AG (DE) 1983-08-10 EP disclosed