SCHEMBL6836764

SCHEMBL6836764

CC1(C)C[C@H](N=C=O)CC(C)(CN=C=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
CYP3A4 P08684 1/20 1.00

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
SCHEMBL5610404 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL28910450 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL30393565 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL14679716 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL15846 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL29932997 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL2821152 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL29685460 0.98 ALDH1A1 (0.97) ALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL5569361 0.98 ALDH1A1 (0.97) ALDH1A1CYP3A4
Methane SCHEMBL20394624 0.98 ALDH1A1 (0.97) ALDH1A1CYP3A4

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
WO-2023018989-A1 CROSS-LINKED POLYMERIC CHELATORS COMPOSITIONS AND USE THEREOF THE UNIVERSITY OF KANSAS (US) 2023-02-16 WO disclosed
EP-2555054-A1 DEVELOPER FOR PROCESSING PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING PLANOGRAPHIC PRINTING PLATE USING THE DEVELOPER, AND METHOD FOR PRINTING FUJIFILM Corporation (JP) 2013-02-06 EP disclosed
US-20040217337-A1 Curable resinous compositions for forming soft, abrasion-resistant coating compositons for fabrics PRIZMALITE INDUSTRIES INC. 2004-11-04 US disclosed