SCHEMBL30778253

SCHEMBL30778253

C=CCCC(O)(C#Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ PYCR1 P32322 1/20 0.35
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ NR1I2 O75469 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
SCHEMBL29159290 0.90 MAPT (0.53) MAPTMMP1MMP9NR1I2
SCHEMBL30778209 0.86 MAPT (0.47) MAPTMMP1MMP9
SCHEMBL30778246 0.86 MAPT (0.47) MAPTMMP1MMP9NR1I2
SCHEMBL29159304 0.86 MAPT (0.47) MAPTNR1I2
SCHEMBL30778219 0.86 MAPT (0.54) MAPTMMP1MMP9
SCHEMBL30778216 0.83 MAPT (0.47) MAPT
SCHEMBL30778255 0.82 MAPT (0.45) MAPT
SCHEMBL30778250 0.81 MAPT (0.47) MAPT
SCHEMBL30778194 0.81 MAPT (0.43) MAPTMMP9NR1I2
SCHEMBL30778220 0.81 MAPT (0.43) MAPT

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-117603027-A Olefin difunctional method and delta-trifluoromethyl ketone product prepared by same 重庆理工大学 2024-02-27 — — CN disclosed
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