SCHEMBL5710663

SCHEMBL5710663

O=C=NC1CCC(CI)C(N=C=O)C1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1052082 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3235578 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1130174 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL374623 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL840992 0.76 ALDH1A1 (0.46) ALDH1A1
SCHEMBL28320831 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15011466 0.76 ALDH1A1 (0.46) ALDH1A1
SCHEMBL44159 0.72 ALDH1A1 (0.57) ALDH1A1
SCHEMBL18435010 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL8645588 0.71 ALDH1A1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748828-B2 Polyurethane elastomers having improved green strength and demold time, and polyoxyalkylene polyols suitable for their preparation BAYER ANTWERPEN NV (BE) 2006-11-29 EP disclosed
EP-0204497-A1 Polymerisation process employing compounds having polymerisable acylurethane structures Nippon Paint Co., Ltd. (JP) 1986-12-10 EP disclosed
EP-0017503-A2 Gem-bis (hydroxymethyl) alcohols and mixtures thereof with diols, process for their preparation and a process for the preparation of polyurethanes therefrom HENKEL CORPORATION (a Delaware corp.) (US) 1980-10-15 EP disclosed