SCHEMBL28098719

SCHEMBL28098719

C=CC=COC(C)=O.C=COC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5241244 0.93
SCHEMBL973840 0.93
SCHEMBL973841 0.93
Ethylene SCHEMBL27457191 0.91 ALDH1A1 (0.35) ALDH1A1
Acetic Acid SCHEMBL28594436 0.88 ALDH1A1 (0.33) ALDH1A1
Carbon Monoxide SCHEMBL7010389 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27468112 0.85
Ethylene SCHEMBL29631732 0.83
Butadiene SCHEMBL28568034 0.83 ALDH1A1 (0.40) ALDH1A1
Butadiene SCHEMBL3139284 0.83 ALDH1A1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105979930-B Drug delivery system MERCK SHARP & DOHME B.V. (NL) 2019-11-19 CN disclosed
CN-105979930-A Drug delivery system. 默沙东有限责任公司 2016-09-28 CN disclosed