SCHEMBL28296230

SCHEMBL28296230

CCOCNCCC(C)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL28294531 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL28873000 0.77
SCHEMBL28296228 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL366208 0.75 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL21357680 0.74
SCHEMBL3037203 0.74
SCHEMBL1231151 0.72
SCHEMBL7056190 0.72
SCHEMBL8979961 0.71
Hydrochloric Acid SCHEMBL5436004 0.70 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHR

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-109876600-A The removing method and sour gas removing device of acid gas absorbent, sour gas 株式会社东芝 2019-06-14 CN claimed