SCHEMBL28678695

SCHEMBL28678695

COc1c(F)cc(C=O)c(O)c1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 18/20 0.51
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL29365717 1.00 ERN1 (0.51) ERN1CA1CA2
SCHEMBL28915744 0.85 ERN1 (0.48) ERN1CA1CA2
SCHEMBL7380240 0.85 ERN1 (0.47) ERN1CA1CA2
SCHEMBL29933143 0.85 ERN1 (0.48) ERN1CA1CA2
SCHEMBL4655024 0.82 ALDH1A1 (0.42) ERN1CA1CA2
SCHEMBL31166894 0.82 ALDH1A1 (0.42) ERN1CA1CA2
SCHEMBL9787541 0.81 ERN1 (0.48) ERN1CA1CA2
SCHEMBL27189236 0.79 ERN1 (0.47) ERN1CA1CA2
SCHEMBL27867837 0.79 ERN1 (0.45) ERN1CA1CA2
SCHEMBL27189181 0.79 ALDH1A1 (0.42) ERN1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980036-B Near infrared fluorescent probe with dual responses of alkalinity, active oxygen and active nitrogen, and preparation method and application thereof 复旦大学 2023-05-30 CN claimed
CN-113980036-A Alkaline, active oxygen and active nitrogen dual-response near-infrared fluorescent probe and preparation method and application thereof 复旦大学 2022-01-28 CN claimed
CN-113980036-B Near infrared fluorescent probe with dual responses of alkalinity, active oxygen and active nitrogen, and preparation method and application thereof 复旦大学 2023-05-30 CN disclosed