SCHEMBL29065671

SCHEMBL29065671

O=C(O)OCC/C=C\CBr

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
FAAH O00519 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
SCHEMBL6651850 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19712120 0.84 PTGS1 (0.32)
SCHEMBL29065669 0.84 ALDH1A1 (0.38) ALDH1A1TSHRFAAH
SCHEMBL28769388 0.79
SCHEMBL27950114 0.78
SCHEMBL6899699 0.77 FAAH (0.41) ALDH1A1TSHRFAAH
SCHEMBL5074220 0.77 ALOX15 (0.44) ALDH1A1TSHR
SCHEMBL9541508 0.77 ALDH1A1 (0.47) ALDH1A1TSHRFAAH
SCHEMBL28427843 0.77 ALDH1A1 (0.47) ALDH1A1TSHRFAAH
SCHEMBL17865564 0.77 NAAA (0.44) ALDH1A1TSHRFAAH

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-116685332-A Nanomaterial comprising carbonate 比姆医疗股份有限公司 2023-09-01 CN disclosed