SCHEMBL31338951

SCHEMBL31338951

CC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.63
▸ PTPN1 P18031 6/20 0.56
▸ STAT3 P40763 8/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL29425885 1.00 MAPT (0.63) MAPTPTPN1STAT3MEN1KMT2A
Ixoside SCHEMBL29474997 0.90 MAPT (0.63) MAPTPTPN1STAT3MEN1KMT2A
Geniposidic Acid SCHEMBL227010 0.88 PTPN1 (0.70) MAPTPTPN1STAT3
SCHEMBL31228947 0.84 PTPN1 (0.57) MAPTPTPN1
SCHEMBL29425791 0.83 PTPN1 (0.47) MAPTPTPN1STAT3MEN1KMT2A
SCHEMBL29425935 0.80 PTPN1 (0.61) MAPTPTPN1STAT3
SCHEMBL29426048 0.79 MAPT (0.63) MAPTPTPN1STAT3MEN1KMT2A
Geniposide SCHEMBL21765150 0.79 PTPN1 (0.70) MAPTPTPN1STAT3MEN1KMT2A
Geniposide SCHEMBL16264978 0.79 PTPN1 (0.70) MAPTPTPN1STAT3MEN1KMT2A
Geniposide SCHEMBL17776267 0.79 PTPN1 (0.70) MAPTPTPN1STAT3MEN1KMT2A

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
US-20250031732-A1 FLAVOURING AGENT, COMPOSITION, PRODUCTION METHOD AND USE OF AROMATISING AND FLAVOURING AGENTS BASED ON VANILLA EXTRACT UNIV FEDERAL DO ESTADO DO RIO DE JANEIRO (BR) 2025-01-30 — — US claimed
US-20250031732-A1 FLAVOURING AGENT, COMPOSITION, PRODUCTION METHOD AND USE OF AROMATISING AND FLAVOURING AGENTS BASED ON VANILLA EXTRACT UNIV FEDERAL DO ESTADO DO RIO DE JANEIRO (BR) 2025-01-30 — — US disclosed
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