SCHEMBL30679825

SCHEMBL30679825

CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ P2RY14 Q15391 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ P2RY2 P41231 1/20 0.54
▸ P2RY4 P51582 1/20 0.54
▸ P2RY6 Q15077 1/20 0.54
▸ CD69 Q07108 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL433510 1.00 ALDH1A1 (0.56) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL20281034 0.92 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
Pyrophosphoric Acid SCHEMBL26646343 0.91 ALDH1A1 (0.57) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL15334201 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL22410446 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL5679031 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL317138 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL20552181 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL7152633 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2
SCHEMBL18710872 0.90 ALDH1A1 (0.61) ALDH1A1THRBP2RY14MAPK1P2RY2

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
US-20250197902-A1 CHEMOENZYMATIC SYNTHESIS OF SELENONEINE AND ITS ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-06-19 — — US disclosed
EP-4499855-A1 CHEMOENZYMATIC SYNTHESIS OF SELENONEINE AND ITS ANALOGS The Trustees of Princeton University (US) 2025-02-05 — — EP disclosed
WO-2023183543-A1 CHEMOENZYMATIC SYNTHESIS OF SELENONEINE AND ITS ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-09-28 — — WO disclosed
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