SCHEMBL31552897

SCHEMBL31552897

NC(CC1CO1)(CC1CO1)CC(N)(CC1CO1)CC1CO1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL587165 0.79 ALDH1A1 (0.34) ALDH1A1TDP1TSHRMAPK1
Hydrochloric Acid SCHEMBL194774 0.77 ALDH1A1 (0.33) ALDH1A1TDP1TSHRMAPK1
SCHEMBL2722582 0.77 ALDH1A1 (0.38) ALDH1A1TDP1TSHRMAPK1
SCHEMBL11032545 0.75 ALDH1A1 (0.37) ALDH1A1TDP1TSHRMAPK1
Hydrochloric Acid SCHEMBL8883895 0.74
SCHEMBL822980 0.69 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPK1
SCHEMBL30920075 0.69 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL10777594 0.69
SCHEMBL4742464 0.67 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL1161651 0.65

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
CN-119775854-A Protective agent and preparation method thereof 中国地质大学(北京) 2025-04-08 CN disclosed