SCHEMBL29926136

SCHEMBL29926136

COC(=O)[C@@H](COCc1ccccc1)OS(C)(=O)=O.COC(=O)[C@H](O)COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA7 P43166 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CA4 P22748 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ CA12 O43570 1/20 0.36

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
SCHEMBL19520946 0.94 MMP2 (0.45) MMP2MMP3KMT2AMEN1CA1
SCHEMBL27304800 0.94 MMP2 (0.45) MMP2MMP3KMT2AMEN1CA1
SCHEMBL19520948 0.94 MMP2 (0.45) MMP2MMP3KMT2AMEN1CA1
SCHEMBL13733023 0.85 CA1 (0.51) KMT2ACA1CA2CA9CA7
SCHEMBL30231867 0.85 CA1 (0.51) KMT2ACA1CA2CA9CA7
SCHEMBL29097257 0.85 CA1 (0.51) KMT2ACA1CA2CA9CA7
SCHEMBL13733029 0.85 CA1 (0.51) KMT2ACA1CA2CA9CA7
SCHEMBL19520889 0.82 SLC1A1 (0.48) MMP2MMP3CA1CA2CA9
SCHEMBL19520906 0.82 SLC1A1 (0.48) MMP2MMP3CA1CA2CA9
SCHEMBL27028875 0.82 SLC1A1 (0.48) MMP2MMP3CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 — — EP disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 — — WO disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 — — EP disclosed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 — — WO disclosed
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