SCHEMBL4432678

SCHEMBL4432678

NCCNc1c(S(=O)(=O)O)c2c([K])c3c([K])cc(S(=O)(=O)O)c(c13)C(=O)NC2=O

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
SCHEMBL301992 0.64 MEN1 (0.30) —
SCHEMBL19357602 0.60 PRKD3 (0.34) —
SCHEMBL263329 0.57 PRKD3 (0.33) —
SCHEMBL29637765 0.55 TAAR1 (0.32) —
SCHEMBL9293198 0.54 CASP6 (0.47) —
SCHEMBL9151241 0.54 RAPGEF4 (0.37) —
SCHEMBL9153705 0.53 CTDSP1 (0.51) —
SCHEMBL8164203 0.53 RAPGEF4 (0.58) —
SCHEMBL17315379 0.52 CASR (0.52) —
SCHEMBL5839020 0.52 CA12 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853680-A4 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN INC (US) 2000-09-13 — — EP claimed
EP-0853680-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1998-07-22 — — EP claimed
WO-1997012994-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1997-04-10 — — WO claimed
EP-2035440-A2 PRIMER AND PROBE SEQUENCES FOR DETECTING CHLAMYDIA TRACHOMATIS Abbott Laboratories (US) 2009-03-18 — — EP disclosed
WO-2008127921-A2 PRIMER AND PROBE SEQUENCES FOR DETECTING CHLAMYDIA TRACHOMATIS ABBOTT LABORATORIES (US) 2008-10-23 — — WO disclosed
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