SCHEMBL26670646

SCHEMBL26670646

CN(C(=O)O)[C@@H]1CC[C@@H](O)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15333741 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17911553 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2392595 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL481634 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20973330 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1498386 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3829062 0.84
SCHEMBL3829058 0.84
SCHEMBL3831930 0.84
SCHEMBL217412 0.81

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
WO-2023230477-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2023-11-30 WO disclosed