SCHEMBL9503805

SCHEMBL9503805

N=C(N)Nc1nc(O)cc(O)n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11164637 0.88
SCHEMBL4264509 0.80 HTT (0.38)
SCHEMBL9505940 0.77 PEPD (0.40)
SCHEMBL11022700 0.77 MAPT (0.33)
SCHEMBL22804462 0.76 MAPT (0.48)
Hydrochloric Acid SCHEMBL11020774 0.76 MAPT (0.32)
SCHEMBL11022815 0.76 S1PR2 (0.38)
SCHEMBL135748 0.71 LMNA (0.31)
SCHEMBL11021046 0.71
SCHEMBL11018763 0.70 MAPT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP disclosed
US-4421601-A LACQUERS, INKS, PAINTS, TEXTILES, PAPER BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed
US-4014863-A LACQUERS, PRINTING INKS, PAINTS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed