SCHEMBL27614569

SCHEMBL27614569

Nc1ccc(COC=O)o1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2540847 0.85 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL28835757 0.76 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL2541640 0.76 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL2542967 0.76 CHRM2 (0.44) ALDH1A1TSHR
SCHEMBL28109516 0.76 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL2544210 0.76 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL17485950 0.74 SMN1; SMN2 (0.33) ALDH1A1TSHR
SCHEMBL18640583 0.72 TDP1 (0.56)
SCHEMBL27373830 0.72
SCHEMBL19248471 0.72 CA2 (0.38)

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-100528152-C 5-hydroxymethyl -2-furol and its derivative analogue medical use HEJI HUANGPU MEDICINE ENTPR CO (BS) 2009-08-19 CN disclosed
CN-1589784-A 5-hydroxymethyl -2-furol and its derivative analogue medical use HEJI HUANGPU MEDICINE ENTPR CO (BS) 2005-03-09 CN disclosed