SCHEMBL5200310

SCHEMBL5200310

NCCC/C=C\C(=O)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
SCHEMBL284780 1.00
SCHEMBL284781 1.00
Hydrochloric Acid SCHEMBL2821128 0.98 BLM (0.54)
Hydrochloric Acid SCHEMBL2821126 0.98 BLM (0.54)
SCHEMBL3464763 0.93 BLM (0.54)
SCHEMBL3464766 0.93 BLM (0.54)
Hydrochloric Acid SCHEMBL13504659 0.91 BLM (0.52)
SCHEMBL2391893 0.91 BLM (0.52)
SCHEMBL3463001 0.91 BLM (0.52)
SCHEMBL9326029 0.91 BLM (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-20030105286-A1 Linked peptide nucleic acids EGHOLM MICHAEL (US) 2003-06-05 US disclosed
US-6451968-B1 HOOGSTEEN TYPE BASE PAIRING IN TRIPLEX MOTIF; DIAGNOSIS; HEAT RESISTANCE; DETECTION OF POINT MUTATIONS, RESTRICTION ENZYME SITES, AND TRANSCRIPTION INHIBITION ISIS PHARMACEUTICALS, INC. 2002-09-17 US disclosed
US-6441130-B1 FORM TRIPLE STRANDED STRUCTURES WITH NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed